#------------------------------------------------------------------------------
#$Date: 2021-06-21 11:15:50 +0300 (Mon, 21 Jun 2021) $
#$Revision: 266599 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/36/1563628.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1563628
loop_
_publ_author_name
'Zubkov, Vladimir G.'
'Tarakina, Nadezda V.'
'Leonidov, Ivan I.'
'Tyutyunnik, Alexander P.'
'Surat, Ludmila L.'
'Melkozerova, Marina A.'
'Zabolotskaya, Elena V.'
'Kellerman, Dina G.'
_publ_section_title
;
 Synthesis and crystal structure of Ln2M2+Ge4O12, Ln=rare-earth element or
 Y; M=Ca, Mn, Zn
;
_journal_issue                   5
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1186
_journal_page_last               1193
_journal_paper_doi               10.1016/j.jssc.2010.03.027
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Ca Gd2 Ge4 O12'
_chemical_formula_weight         836.93
_space_group_IT_number           125
_space_group_name_Hall           '-P 4a 2b'
_space_group_name_H-M_alt        'P 4/n b m :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n b m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.07495(9)
_cell_length_b                   10.07495
_cell_length_c                   5.10301(6)
_cell_volume                     517.979(8)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_correction_T_max  6.17750
_exptl_absorpt_correction_T_min  2.40256
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =    -0.56562         0.0000    
Correction is refined.
;
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        119.98
_pd_meas_2theta_range_min        2.0
_pd_meas_number_of_points        5900
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        119.95547
_pd_proc_2theta_range_min        1.97548
_pd_proc_info_datetime           2010-02-27T12:47:37
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    4899.13     2:   -2016.20     3:    433.226     4:   -408.031    
      5:    99.3930     6:   -25.1596     7:   -5.82388     8:   -6.96940    
      9:    18.3444    10:   -25.6198    11:    19.7698    12:   -2.72999    
     13:  -0.363687    14:   -8.23002    15:    12.2993    16:   -19.9955    
     17:    20.9472    18:   -13.0743    19:   -2.88202    20:    6.42540    
     21:   -1.95894    22:   -3.67061    23:    14.6316    24:   -22.2042    
     25:    13.7319    26:   -8.25152    27:   -3.09063    28:    12.8234    
     29:   -14.2830    30:    7.11357    31:    1.11087    32:   -13.7555    
     33:    17.1884    34:   -9.14369    35:    1.35737    36:    7.46064    
;
_pd_proc_ls_peak_cutoff          0.00200
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =   29.532 #2(GV)   =  -13.267 #3(GW)   =   13.500
 #4(LX)   =    3.399 #5(LY)   =    7.054 #6(trns) =    0.000
 #7(asym) =   2.2143 #8(shft) =   0.0000 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0020 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0148
_pd_proc_ls_prof_wR_expected     0.0141
_pd_proc_ls_prof_wR_factor       0.0190
_pd_proc_number_of_points        5900
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.35
_refine_ls_matrix_type           full
_refine_ls_number_parameters     70
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.03255
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.00
_reflns_d_resolution_high        0.891
_reflns_d_resolution_low         7.124
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              0
_reflns_number_total             215
_cod_data_source_file            GD2CAGe4O12.cif
_cod_data_source_block           GD2CA(VO3)4_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (194 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (56 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        517.979(12)
_cod_original_sg_symbol_H-M      'P 4/n b m'
_cod_original_formula_sum        'Ca1.00 Gd2.00 Ge4 O12'
_cod_database_code               1563628
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -y+1/2,+x,+z
3 -x+1/2,-y+1/2,+z
4 +y,-x+1/2,+z
5 -x,+y+1/2,+z
6 -y,-x,+z
7 +x+1/2,-y,+z
8 +y+1/2,+x+1/2,+z
-1 -x,-y,-z
-2 +y+1/2,-x,-z
-3 +x+1/2,+y+1/2,-z
-4 -y,+x+1/2,-z
-5 +x,-y+1/2,-z
-6 +y,+x,-z
-7 -x+1/2,+y,-z
-8 -y+1/2,-x+1/2,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Ca CA1 0.0 0.0 0.5 0.5 Uani 0.04321 4
Gd GD1 0.0 0.0 0.5 0.5 Uani 0.04321 4
Gd GD2 0.25 0.25 0.5 1.0 Uani 0.03702 2
Ge GE1 0.52331(21) 0.25 0.0 1.0 Uani 0.03519 8
O O1 0.6290(8) 0.3710(8) 0.1550(17) 1.0 Uani 0.02596 8
O O2 0.1762(7) 0.0612(6) 0.2523(14) 1.0 Uani 0.02663 16
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Ca 2.0 0.000 0.000 8.62660 10.4421 7.38730 0.65990 1.58990 85.7484 1.02110
178.437 1.37510 International_Tables_Vol_C
Gd 4.0 0.000 0.000 25.0709 2.25341 19.0798 0.18195 13.8518 12.9331 3.54545
101.398 2.41960 International_Tables_Vol_C
Ge 8.0 0.000 0.000 16.0816 2.85090 6.37470 0.25160 3.70680 11.4468 3.68300
54.7625 2.13130 International_Tables_Vol_C
O 24.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
GD2 CA1 GD2 180.0 1_555 . 5_545 n
GD2 CA1 O1 90.0003 1_555 . 3_555 n
GD2 CA1 O1 89.9997 1_555 . -3_456 n
GD2 CA1 O2 41.69(16) 1_555 . 1_555 n
GD2 CA1 O2 138.31(16) 1_555 . 6_555 n
GD2 CA1 O2 138.31(16) 1_555 . -1_556 n
GD2 CA1 O2 41.69(16) 1_555 . -6_556 n
GD2 CA1 O1 89.9997 5_545 . 3_555 n
GD2 CA1 O1 90.0003 5_545 . -3_456 n
GD2 CA1 O2 138.31(16) 5_545 . 1_555 n
GD2 CA1 O2 41.69(16) 5_545 . 6_555 n
GD2 CA1 O2 41.69(16) 5_545 . -1_556 n
GD2 CA1 O2 138.31(16) 5_545 . -6_556 n
O1 CA1 O1 180.0 3_555 . -3_456 n
O1 CA1 O2 82.83(26) 3_555 . 1_555 n
O1 CA1 O2 82.83(26) 3_555 . 6_555 n
O1 CA1 O2 97.17(26) 3_555 . -1_556 n
O1 CA1 O2 97.17(26) 3_555 . -6_556 n
O1 CA1 O2 97.17(26) -3_446 . 1_555 n
O1 CA1 O2 97.17(26) -3_446 . 6_555 n
O1 CA1 O2 82.83(26) -3_446 . -1_556 n
O1 CA1 O2 82.83(26) -3_446 . -6_556 n
O2 CA1 O2 96.62(33) 1_555 . 6_555 n
O2 CA1 O2 180.0 1_555 . -1_556 n
O2 CA1 O2 83.38(33) 1_555 . -6_556 n
O2 CA1 O2 83.38(33) 6_555 . -1_556 n
O2 CA1 O2 180.0 6_555 . -6_556 n
O2 CA1 O2 96.62(33) -1_556 . -6_556 n
GD2 GD1 GD2 180.0 1_555 . 5_545 n
GD2 GD1 O1 90.0003 1_555 . 3_555 n
GD2 GD1 O1 89.9997 1_555 . -3_456 n
GD2 GD1 O2 41.69(16) 1_555 . 1_555 n
GD2 GD1 O2 138.31(16) 1_555 . 6_555 n
GD2 GD1 O2 138.31(16) 1_555 . -1_556 n
GD2 GD1 O2 41.69(16) 1_555 . -6_556 n
GD2 GD1 O1 89.9997 5_545 . 3_555 n
GD2 GD1 O1 90.0003 5_545 . -3_456 n
GD2 GD1 O2 138.31(16) 5_545 . 1_555 n
GD2 GD1 O2 41.69(16) 5_545 . 6_555 n
GD2 GD1 O2 41.69(16) 5_545 . -1_556 n
GD2 GD1 O2 138.31(16) 5_545 . -6_556 n
O1 GD1 O1 180.0 3_555 . -3_456 n
O1 GD1 O2 82.83(26) 3_555 . 1_555 n
O1 GD1 O2 82.83(26) 3_555 . 6_555 n
O1 GD1 O2 97.17(26) 3_555 . -1_556 n
O1 GD1 O2 97.17(26) 3_555 . -6_556 n
O1 GD1 O2 97.17(26) -3_446 . 1_555 n
O1 GD1 O2 97.17(26) -3_446 . 6_555 n
O1 GD1 O2 82.83(26) -3_446 . -1_556 n
O1 GD1 O2 82.83(26) -3_446 . -6_556 n
O2 GD1 O2 96.62(33) 1_555 . 6_555 n
O2 GD1 O2 180.0 1_555 . -1_556 n
O2 GD1 O2 83.38(33) 1_555 . -6_556 n
O2 GD1 O2 83.38(33) 6_555 . -1_556 n
O2 GD1 O2 180.0 6_555 . -6_556 n
O2 GD1 O2 96.62(33) -1_556 . -6_556 n
CA1 GD2 CA1 90.0 1_555 . 2_555 n
CA1 GD2 CA1 180.0 1_555 . 3_555 n
CA1 GD2 CA1 90.0 1_555 . 4_555 n
CA1 GD2 GD1 0.0 1_555 . 1_555 n
CA1 GD2 GD1 90.0 1_555 . 2_555 n
CA1 GD2 GD1 180.0 1_555 . 3_555 n
CA1 GD2 GD1 90.0 1_555 . 4_555 n
CA1 GD2 O2 38.83(17) 1_555 . 1_555 n
CA1 GD2 O2 109.94(13) 1_555 . 2_555 n
CA1 GD2 O2 141.17(17) 1_555 . 3_555 n
CA1 GD2 O2 70.06(13) 1_555 . 4_555 n
CA1 GD2 O2 109.94(13) 1_555 . -5_456 n
CA1 GD2 O2 38.83(17) 1_555 . -6_556 n
CA1 GD2 O2 70.06(13) 1_555 . -7_546 n
CA1 GD2 O2 141.17(17) 1_555 . -8_556 n
CA1 GD2 CA1 90.0 2_555 . 3_555 n
CA1 GD2 CA1 180.0 2_555 . 4_555 n
CA1 GD2 GD1 90.0 2_555 . 1_555 n
CA1 GD2 GD1 0.0 2_555 . 2_555 n
CA1 GD2 GD1 90.0 2_555 . 3_555 n
CA1 GD2 GD1 180.0 2_555 . 4_555 n
CA1 GD2 O2 70.06(13) 2_555 . 1_555 n
CA1 GD2 O2 38.83(17) 2_555 . 2_555 n
CA1 GD2 O2 109.94(13) 2_555 . 3_555 n
CA1 GD2 O2 141.17(17) 2_555 . 4_555 n
CA1 GD2 O2 141.17(17) 2_555 . -5_456 n
CA1 GD2 O2 109.94(13) 2_555 . -6_556 n
CA1 GD2 O2 38.83(17) 2_555 . -7_546 n
CA1 GD2 O2 70.06(13) 2_555 . -8_556 n
CA1 GD2 CA1 90.0 3_555 . 4_555 n
CA1 GD2 GD1 180.0 3_555 . 1_555 n
CA1 GD2 GD1 90.0 3_555 . 2_555 n
CA1 GD2 GD1 0.0 3_555 . 3_555 n
CA1 GD2 GD1 90.0 3_555 . 4_555 n
CA1 GD2 O2 141.17(17) 3_555 . 1_555 n
CA1 GD2 O2 70.06(13) 3_555 . 2_555 n
CA1 GD2 O2 38.83(17) 3_555 . 3_555 n
CA1 GD2 O2 109.94(13) 3_555 . 4_555 n
CA1 GD2 O2 70.06(13) 3_555 . -5_456 n
CA1 GD2 O2 141.17(17) 3_555 . -6_556 n
CA1 GD2 O2 109.94(13) 3_555 . -7_546 n
CA1 GD2 O2 38.83(17) 3_555 . -8_556 n
CA1 GD2 GD1 90.0 4_555 . 1_555 n
CA1 GD2 GD1 180.0 4_555 . 2_555 n
CA1 GD2 GD1 90.0 4_555 . 3_555 n
CA1 GD2 GD1 0.0 4_555 . 4_555 n
CA1 GD2 O2 109.94(13) 4_555 . 1_555 n
CA1 GD2 O2 141.17(17) 4_555 . 2_555 n
CA1 GD2 O2 70.06(13) 4_555 . 3_555 n
CA1 GD2 O2 38.83(17) 4_555 . 4_555 n
CA1 GD2 O2 38.83(17) 4_555 . -5_456 n
CA1 GD2 O2 70.06(13) 4_555 . -6_556 n
CA1 GD2 O2 141.17(17) 4_555 . -7_546 n
CA1 GD2 O2 109.94(13) 4_555 . -8_556 n
GD1 GD2 GD1 90.0 1_555 . 2_555 n
GD1 GD2 GD1 180.0 1_555 . 3_555 n
GD1 GD2 GD1 90.0 1_555 . 4_555 n
GD1 GD2 O2 38.83(17) 1_555 . 1_555 n
GD1 GD2 O2 109.94(13) 1_555 . 2_555 n
GD1 GD2 O2 141.17(17) 1_555 . 3_555 n
GD1 GD2 O2 70.06(13) 1_555 . 4_555 n
GD1 GD2 O2 109.94(13) 1_555 . -5_456 n
GD1 GD2 O2 38.83(17) 1_555 . -6_556 n
GD1 GD2 O2 70.06(13) 1_555 . -7_546 n
GD1 GD2 O2 141.17(17) 1_555 . -8_556 n
GD1 GD2 GD1 90.0 2_555 . 3_555 n
GD1 GD2 GD1 180.0 2_555 . 4_555 n
GD1 GD2 O2 70.06(13) 2_555 . 1_555 n
GD1 GD2 O2 38.83(17) 2_555 . 2_555 n
GD1 GD2 O2 109.94(13) 2_555 . 3_555 n
GD1 GD2 O2 141.17(17) 2_555 . 4_555 n
GD1 GD2 O2 141.17(17) 2_555 . -5_456 n
GD1 GD2 O2 109.94(13) 2_555 . -6_556 n
GD1 GD2 O2 38.83(17) 2_555 . -7_546 n
GD1 GD2 O2 70.06(13) 2_555 . -8_556 n
GD1 GD2 GD1 90.0 3_555 . 4_555 n
GD1 GD2 O2 141.17(17) 3_555 . 1_555 n
GD1 GD2 O2 70.06(13) 3_555 . 2_555 n
GD1 GD2 O2 38.83(17) 3_555 . 3_555 n
GD1 GD2 O2 109.94(13) 3_555 . 4_555 n
GD1 GD2 O2 70.06(13) 3_555 . -5_456 n
GD1 GD2 O2 141.17(17) 3_555 . -6_556 n
GD1 GD2 O2 109.94(13) 3_555 . -7_546 n
GD1 GD2 O2 38.83(17) 3_555 . -8_556 n
GD1 GD2 O2 109.94(13) 4_555 . 1_555 n
GD1 GD2 O2 141.17(17) 4_555 . 2_555 n
GD1 GD2 O2 70.06(13) 4_555 . 3_555 n
GD1 GD2 O2 38.83(17) 4_555 . 4_555 n
GD1 GD2 O2 38.83(17) 4_555 . -5_456 n
GD1 GD2 O2 70.06(13) 4_555 . -6_556 n
GD1 GD2 O2 141.17(17) 4_555 . -7_546 n
GD1 GD2 O2 109.94(13) 4_555 . -8_556 n
O2 GD2 O2 73.92(17) 1_555 . 2_555 n
O2 GD2 O2 116.5(4) 1_555 . 3_555 n
O2 GD2 O2 73.92(17) 1_555 . 4_555 n
O2 GD2 O2 143.92(28) 1_555 . -5_456 n
O2 GD2 O2 77.67(35) 1_555 . -6_556 n
O2 GD2 O2 75.26(31) 1_555 . -7_546 n
O2 GD2 O2 140.12(26) 1_555 . -8_556 n
O2 GD2 O2 73.92(17) 2_555 . 3_555 n
O2 GD2 O2 116.5(4) 2_555 . 4_555 n
O2 GD2 O2 140.12(26) 2_555 . -5_456 n
O2 GD2 O2 143.92(28) 2_555 . -6_556 n
O2 GD2 O2 77.67(35) 2_555 . -7_546 n
O2 GD2 O2 75.26(31) 2_555 . -8_556 n
O2 GD2 O2 73.92(17) 3_555 . 4_555 n
O2 GD2 O2 75.26(31) 3_555 . -5_456 n
O2 GD2 O2 140.12(26) 3_555 . -6_556 n
O2 GD2 O2 143.92(28) 3_555 . -7_546 n
O2 GD2 O2 77.67(35) 3_555 . -8_556 n
O2 GD2 O2 77.67(35) 4_555 . -5_456 n
O2 GD2 O2 75.26(31) 4_555 . -6_556 n
O2 GD2 O2 140.12(26) 4_555 . -7_546 n
O2 GD2 O2 143.92(28) 4_555 . -8_556 n
O2 GD2 O2 73.92(17) -5_456 . -6_556 n
O2 GD2 O2 116.5(4) -5_456 . -7_546 n
O2 GD2 O2 73.92(17) -5_456 . -8_556 n
O2 GD2 O2 73.92(17) -6_556 . -7_546 n
O2 GD2 O2 116.5(4) -6_556 . -8_556 n
O2 GD2 O2 73.92(17) -7_546 . -8_556 n
O1 GE1 O1 107.5(7) 1_555 . -4_555 n
O1 GE1 O2 104.9(4) 1_555 . 2_555 n
O1 GE1 O2 109.3(5) 1_555 . -8_555 n
O1 GE1 O2 109.3(5) -4_545 . 2_555 n
O1 GE1 O2 104.9(4) -4_545 . -8_555 n
O2 GE1 O2 120.4(5) 2_555 . -8_555 n
CA1 O1 GD1 0.0 3_555 . 3_555 n
CA1 O1 GE1 110.3(4) 3_555 . 1_555 n
CA1 O1 GE1 110.3(4) 3_555 . 6_665 n
GD1 O1 GE1 110.3(4) 3_555 . 1_555 n
GD1 O1 GE1 110.3(4) 3_555 . 6_665 n
GE1 O1 GE1 127.4(5) 1_555 . 6_665 n
CA1 O2 GD1 0.0 1_555 . 1_555 n
CA1 O2 GD2 99.48(24) 1_555 . 1_555 n
CA1 O2 GE1 128.6(4) 1_555 . 4_555 n
GD1 O2 GD2 99.48(24) 1_555 . 1_555 n
GD1 O2 GE1 128.6(4) 1_555 . 4_555 n
GD2 O2 GE1 130.9(4) 1_555 . 4_555 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
CA1 GD2 3.562030(30) . 1_555 n
CA1 GD2 3.562030(30) . 5_545 n
CA1 GE1 3.59296(14) . 3_555 n
CA1 GE1 3.59296(14) . 3_556 n
CA1 GE1 3.59296(14) . 4_555 n
CA1 GE1 3.59296(14) . 4_556 n
CA1 GE1 3.59296(14) . 7_455 n
CA1 GE1 3.59296(14) . 7_456 n
CA1 GE1 3.59296(14) . 8_445 n
CA1 GE1 3.59296(14) . 8_446 n
CA1 O1 2.546(10) . 3_555 n
CA1 O1 2.546(10) . -3_446 n
CA1 O2 2.265(7) . 1_555 n
CA1 O2 2.265(7) . 6_555 n
CA1 O2 2.265(7) . -1_556 n
CA1 O2 2.265(7) . -6_556 n
GD1 GD2 3.562030(30) . 1_555 n
GD1 GD2 3.562030(30) . 5_545 n
GD1 O1 2.546(10) . 3_555 n
GD1 O1 2.546(10) . -3_446 n
GD1 O2 2.265(7) . 1_555 n
GD1 O2 2.265(7) . 6_555 n
GD1 O2 2.265(7) . -1_556 n
GD1 O2 2.265(7) . -6_556 n
GD2 CA1 3.562030(30) . 1_555 n
GD2 CA1 3.562030(30) . 2_555 n
GD2 CA1 3.562030(30) . 3_555 n
GD2 CA1 3.562030(30) . 4_555 n
GD2 GD1 3.562030(30) . 1_555 n
GD2 GD1 3.562030(30) . 2_555 n
GD2 GD1 3.562030(30) . 3_555 n
GD2 GD1 3.562030(30) . 4_555 n
GD2 O2 2.402(7) . 1_555 n
GD2 O2 2.402(7) . 2_555 n
GD2 O2 2.402(7) . 3_555 n
GD2 O2 2.402(7) . 4_555 n
GD2 O2 2.402(7) . -5_556 n
GD2 O2 2.402(7) . -6_556 n
GD2 O2 2.402(7) . -7_556 n
GD2 O2 2.402(7) . -8_556 n
GE1 CA1 3.59296(14) . 2_554 n
GE1 CA1 3.59296(14) . 2_555 n
GE1 CA1 3.59296(14) . 3_554 n
GE1 CA1 3.59296(14) . 3_555 n
GE1 O1 1.802(4) . 1_555 n
GE1 O1 1.801(4) . -4_645 n
GE1 O2 1.714(6) . 2_555 n
GE1 O2 1.714(6) . -8_555 n
O1 CA1 2.546(10) . 3_555 n
O1 GD1 2.546(10) . 3_555 n
O1 GE1 1.802(4) . 1_555 n
O1 GE1 1.801(4) . 6_665 n
O2 CA1 2.265(7) . 1_555 n
O2 GD1 2.265(7) . 1_555 n
O2 GD2 2.402(7) . 1_555 n
O2 GE1 1.714(6) . 4_555 n
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
8089.0 0.0001236 8071.93945 8071.92969
7811.0 0.0001280 8049.56494 8049.55469
7935.0 0.0001260 8028.36914 8028.35938
8059.0 0.0001241 8008.29248 8008.28223
8224.0 0.0001216 7989.27588 7989.26611
7796.0 0.0001283 7971.26318 7971.25342
7940.0 0.0001259 7954.20264 7954.19287
7953.0 0.0001257 7938.04150 7938.03174
7957.0 0.0001257 7922.73291 7922.72314
8227.0 0.0001216 7908.22852 7908.21875
7889.0 0.0001268 7894.48486 7894.47510
7954.0 0.0001257 7881.45850 7881.44873
7792.0 0.0001283 7869.10986 7869.10010
7843.0 0.0001275 7857.39893 7857.38916
8054.0 0.0001242 7846.28955 7846.28027
7802.0 0.0001282 7835.74707 7835.73730
7731.0 0.0001293 7825.73682 7825.72705
7793.0 0.0001283 7816.22754 7816.21777
7921.0 0.0001262 7807.18848 7807.17871
7902.0 0.0001266 7798.59033 7798.58105
7681.0 0.0001302 7790.40674 7790.39697
7748.0 0.0001291 7782.61035 7782.60059
7781.0 0.0001285 7775.17773 7775.16797
7752.0 0.0001290 7768.08398 7768.07422
7986.0 0.0001252 7761.30762 7761.29785
7624.0 0.0001312 7754.82715 7754.81738
7577.0 0.0001320 7748.62305 7748.61328
7569.0 0.0001321 7742.67578 7742.66602
7686.0 0.0001301 7736.96777 7736.95801
7895.0 0.0001267 7731.48193 7731.47217
7716.0 0.0001296 7726.20215 7726.19238
7499.0 0.0001334 7721.11377 7721.10400
7719.0 0.0001296 7716.20313 7716.19336
7609.0 0.0001314 7711.45557 7711.44580
7959.0 0.0001256 7706.85986 7706.85010
7674.0 0.0001303 7702.40332 7702.39307
7586.0 0.0001318 7698.07520 7698.06543
7585.0 0.0001318 7693.86475 7693.85498
7571.0 0.0001321 7689.76270 7689.75293
7936.0 0.0001260 7685.76025 7685.75049
7765.0 0.0001288 7681.84863 7681.83887
7610.0 0.0001314 7678.02002 7678.00977
7626.0 0.0001311 7674.26660 7674.25684
7729.0 0.0001294 7670.58252 7670.57227
7815.0 0.0001280 7666.96045 7666.95068
7648.0 0.0001308 7663.39502 7663.38525
7694.0 0.0001300 7659.88086 7659.87109
7611.0 0.0001314 7656.41309 7656.40332
7593.0 0.0001317 7652.98682 7652.97705
7765.0 0.0001288 7649.59814 7649.58838
7688.0 0.0001301 7646.24316 7646.23340
7594.0 0.0001317 7642.91797 7642.90820
7674.0 0.0001303 7639.62012 7639.60986
7441.0 0.0001344 7636.34619 7636.33594
7920.0 0.0001263 7633.09375 7633.08350
7658.0 0.0001306 7629.85986 7629.84961
7578.0 0.0001320 7626.64355 7626.63330
7593.0 0.0001317 7623.44238 7623.43213
7707.0 0.0001298 7620.25439 7620.24463
7898.0 0.0001266 7617.07910 7617.06934
7584.0 0.0001319 7613.91455 7613.90479
7584.0 0.0001319 7610.75977 7610.75000
7678.0 0.0001302 7607.61426 7607.60449
7392.0 0.0001353 7604.47705 7604.46680
7802.0 0.0001282 7601.34717 7601.33740
7476.0 0.0001338 7598.22510 7598.21533
7433.0 0.0001345 7595.10986 7595.09961
7477.0 0.0001337 7592.00098 7591.99121
7455.0 0.0001341 7588.89941 7588.88965
7896.0 0.0001266 7585.80420 7585.79395
7499.0 0.0001334 7582.71533 7582.70557
7525.0 0.0001329 7579.63330 7579.62354
7375.0 0.0001356 7576.55859 7576.54883
7571.0 0.0001321 7573.49121 7573.48145
7834.0 0.0001276 7570.43164 7570.42188
7432.0 0.0001346 7567.38037 7567.37061
7505.0 0.0001332 7564.33740 7564.32764
7462.0 0.0001340 7561.30322 7561.29346
7542.0 0.0001326 7558.27832 7558.26855
7672.0 0.0001303 7555.26367 7555.25391
7562.0 0.0001322 7552.25928 7552.24951
7495.0 0.0001334 7549.26611 7549.25635
7533.0 0.0001327 7546.28467 7546.27490
7687.0 0.0001301 7543.31543 7543.30566
7646.0 0.0001308 7540.35889 7540.34912
7461.0 0.0001340 7537.41553 7537.40576
7506.0 0.0001332 7534.48584 7534.47607
7509.0 0.0001332 7531.57080 7531.56104
7675.0 0.0001303 7528.67090 7528.66113
7597.0 0.0001316 7525.78613 7525.77637
7537.0 0.0001327 7522.91748 7522.90771
7513.0 0.0001331 7520.06543 7520.05615
7486.0 0.0001336 7517.23047 7517.22119
7355.0 0.0001360 7514.41309 7514.40332
7746.0 0.0001291 7511.61377 7511.60400
7404.0 0.0001351 7508.83252 7508.82275
7367.0 0.0001357 7506.06934 7506.05957
7454.0 0.0001342 7503.32568 7503.31641
7570.0 0.0001321 7500.60156 7500.59229
7565.0 0.0001322 7497.89697 7497.88770
7441.0 0.0001344 7495.21240 7495.20313
7430.0 0.0001346 7492.54834 7492.53857
7365.0 0.0001358 7489.90430 7489.89453
7424.0 0.0001347 7487.28076 7487.27148
7589.0 0.0001318 7484.67773 7484.66846
7565.0 0.0001322 7482.09619 7482.08643
7626.0 0.0001311 7479.53516 7479.52539
7385.0 0.0001354 7476.99512 7476.98535
7406.0 0.0001350 7474.47559 7474.46631
7617.0 0.0001313 7471.97754 7471.96777
7304.0 0.0001369 7469.50000 7469.49072
7433.0 0.0001345 7467.04346 7467.03418
7345.0 0.0001361 7464.60742 7464.59814
7560.0 0.0001323 7462.19189 7462.18213
7650.0 0.0001307 7459.79688 7459.78711
7264.0 0.0001377 7457.42188 7457.41211
7481.0 0.0001337 7455.06641 7455.05713
7364.0 0.0001358 7452.73096 7452.72119
7316.0 0.0001367 7450.41455 7450.40527
7522.0 0.0001329 7448.11719 7448.10791
7473.0 0.0001338 7445.83838 7445.82910
7465.0 0.0001340 7443.57813 7443.56836
7463.0 0.0001340 7441.33545 7441.32568
7429.0 0.0001346 7439.10986 7439.10059
7512.0 0.0001331 7436.90186 7436.89209
7352.0 0.0001360 7434.70996 7434.70068
7460.0 0.0001340 7432.53418 7432.52490
7389.0 0.0001353 7430.37402 7430.36426
7250.0 0.0001379 7428.22852 7428.21924
7600.0 0.0001316 7426.09717 7426.08789
7419.0 0.0001348 7423.97998 7423.97070
7383.0 0.0001354 7421.87598 7421.86670
7472.0 0.0001338 7419.78467 7419.77539
7424.0 0.0001347 7417.70557 7417.69580
7613.0 0.0001314 7415.63770 7415.62793
7399.0 0.0001352 7413.58057 7413.57080
7302.0 0.0001369 7411.53320 7411.52344
7377.0 0.0001356 7409.49561 7409.48584
7475.0 0.0001338 7407.46631 7407.45654
7598.0 0.0001316 7405.44531 7405.43555
7462.0 0.0001340 7403.43164 7403.42188
7381.0 0.0001355 7401.42480 7401.41504
7343.0 0.0001362 7399.42334 7399.41406
7456.0 0.0001341 7397.42773 7397.41846
7474.0 0.0001338 7395.43652 7395.42725
7322.0 0.0001366 7393.44922 7393.43994
7526.0 0.0001329 7391.46484 7391.45508
7411.0 0.0001349 7389.48291 7389.47314
7416.0 0.0001348 7387.50293 7387.49316
7515.0 0.0001331 7385.52393 7385.51416
7347.0 0.0001361 7383.54492 7383.53516
7321.0 0.0001366 7381.56543 7381.55615
7313.0 0.0001367 7379.58496 7379.57520
7264.0 0.0001377 7377.60303 7377.59326
7417.0 0.0001348 7375.61768 7375.60791
7324.0 0.0001365 7373.62988 7373.62012
7319.0 0.0001366 7371.63770 7371.62842
7563.0 0.0001322 7369.64111 7369.63184
7352.0 0.0001360 7367.63965 7367.62988
7510.0 0.0001332 7365.63184 7365.62256
7310.0 0.0001368 7363.61768 7363.60840
7193.0 0.0001390 7361.59668 7361.58691
7351.0 0.0001360 7359.56738 7359.55811
7347.0 0.0001361 7357.52979 7357.52051
7600.0 0.0001316 7355.48340 7355.47363
7372.0 0.0001356 7353.42725 7353.41797
7381.0 0.0001355 7351.36133 7351.35156
7283.0 0.0001373 7349.28467 7349.27490
7344.0 0.0001362 7347.19629 7347.18701
7565.0 0.0001322 7345.09668 7345.08691
7343.0 0.0001362 7342.98486 7342.97510
7383.0 0.0001354 7340.85938 7340.85010
7314.0 0.0001367 7338.72119 7338.71191
7420.0 0.0001348 7336.56934 7336.56006
7544.0 0.0001326 7334.40332 7334.39404
7349.0 0.0001361 7332.22266 7332.21338
7310.0 0.0001368 7330.02734 7330.01758
7214.0 0.0001386 7327.81641 7327.80664
7189.0 0.0001391 7325.58936 7325.58008
7357.0 0.0001359 7323.34619 7323.33691
7432.0 0.0001346 7321.08691 7321.07715
7197.0 0.0001389 7318.81104 7318.80127
7324.0 0.0001365 7316.51758 7316.50781
7174.0 0.0001394 7314.20703 7314.19727
7437.0 0.0001345 7311.87891 7311.86914
7297.0 0.0001370 7309.53271 7309.52295
7218.0 0.0001385 7307.16846 7307.15869
7295.0 0.0001371 7304.78564 7304.77637
7226.0 0.0001384 7302.38477 7302.37500
7414.0 0.0001349 7299.96484 7299.95508
7045.0 0.0001419 7297.52637 7297.51709
7175.0 0.0001394 7295.06934 7295.05957
7305.0 0.0001369 7292.59277 7292.58301
7337.0 0.0001363 7290.09717 7290.08740
7405.0 0.0001350 7287.58252 7287.57275
7179.0 0.0001393 7285.04834 7285.03857
7280.0 0.0001374 7282.49512 7282.48584
7259.0 0.0001378 7279.92285 7279.91309
7188.0 0.0001391 7277.33105 7277.32178
7436.0 0.0001345 7274.72021 7274.71045
7217.0 0.0001386 7272.09033 7272.08057
7371.0 0.0001357 7269.44092 7269.43115
7252.0 0.0001379 7266.77295 7266.76318
7262.0 0.0001377 7264.08545 7264.07617
7437.0 0.0001345 7261.37939 7261.36963
7260.0 0.0001377 7258.65479 7258.64502
7325.0 0.0001365 7255.91162 7255.90186
7159.0 0.0001397 7253.15039 7253.14063
7057.0 0.0001417 7250.37061 7250.36084
7286.0 0.0001372 7247.57324 7247.56348
7073.0 0.0001414 7244.75781 7244.74805
7175.0 0.0001394 7241.92529 7241.91553
7143.0 0.0001400 7239.07520 7239.06543
7264.0 0.0001377 7236.20801 7236.19824
7295.0 0.0001371 7233.32422 7233.31445
7177.0 0.0001393 7230.42432 7230.41455
7172.0 0.0001394 7227.50830 7227.49854
7178.0 0.0001393 7224.57666 7224.56689
7072.0 0.0001414 7221.62939 7221.61963
7439.0 0.0001344 7218.66748 7218.65771
7348.0 0.0001361 7215.69043 7215.68066
7188.0 0.0001391 7212.69922 7212.68945
7017.0 0.0001425 7209.69434 7209.68457
7176.0 0.0001394 7206.67578 7206.66602
7411.0 0.0001349 7203.64453 7203.63477
7167.0 0.0001395 7200.60010 7200.59033
7195.0 0.0001390 7197.54395 7197.53418
7168.0 0.0001395 7194.47559 7194.46631
7149.0 0.0001399 7191.39648 7191.38672
7417.0 0.0001348 7188.30615 7188.29639
7137.0 0.0001401 7185.20557 7185.19580
7088.0 0.0001411 7182.09521 7182.08545
7220.0 0.0001385 7178.97559 7178.96582
7075.0 0.0001413 7175.84717 7175.83740
7341.0 0.0001362 7172.70996 7172.70020
6993.0 0.0001430 7169.56543 7169.55566
7072.0 0.0001414 7166.41309 7166.40381
7105.0 0.0001407 7163.25439 7163.24463
7078.0 0.0001413 7160.08936 7160.07959
7232.0 0.0001383 7156.91846 7156.90869
7003.0 0.0001428 7153.74268 7153.73291
7150.0 0.0001399 7150.56201 7150.55225
7175.0 0.0001394 7147.37744 7147.36768
7084.0 0.0001412 7144.18945 7144.17969
7269.0 0.0001376 7140.99854 7140.98877
7282.0 0.0001373 7137.80518 7137.79541
7231.0 0.0001383 7134.60986 7134.60010
6889.0 0.0001452 7131.41357 7131.40381
7162.0 0.0001396 7128.21631 7128.20654
7324.0 0.0001365 7125.01904 7125.00928
6946.0 0.0001440 7121.82275 7121.81299
7104.0 0.0001408 7118.62695 7118.61719
7033.0 0.0001422 7115.43262 7115.42285
7133.0 0.0001402 7112.24072 7112.23096
7361.0 0.0001359 7109.05176 7109.04199
7057.0 0.0001417 7105.86572 7105.85596
7201.0 0.0001389 7102.68408 7102.67432
7015.0 0.0001426 7099.50635 7099.49658
7083.0 0.0001412 7096.33398 7096.32422
7295.0 0.0001371 7093.16699 7093.15723
6990.0 0.0001431 7090.00635 7089.99658
7186.0 0.0001392 7086.85205 7086.84229
6939.0 0.0001441 7083.70508 7083.69531
7010.0 0.0001427 7080.56543 7080.55615
7241.0 0.0001381 7077.43457 7077.42529
7015.0 0.0001426 7074.31299 7074.30322
7135.0 0.0001402 7071.20020 7071.19043
7064.0 0.0001416 7068.09717 7068.08789
7035.0 0.0001421 7065.00488 7064.99512
7013.0 0.0001426 7061.92334 7061.91406
6893.0 0.0001451 7058.85352 7058.84375
7043.0 0.0001420 7055.79541 7055.78564
7054.0 0.0001418 7052.74951 7052.73975
6958.0 0.0001437 7049.71680 7049.70703
7169.0 0.0001395 7046.69727 7046.68750
6959.0 0.0001437 7043.69189 7043.68213
7036.0 0.0001421 7040.70068 7040.69092
7014.0 0.0001426 7037.72412 7037.71436
6895.0 0.0001450 7034.76318 7034.75342
7103.0 0.0001408 7031.81689 7031.80713
6988.0 0.0001431 7028.88770 7028.87793
6908.0 0.0001448 7025.97461 7025.96484
6929.0 0.0001443 7023.07813 7023.06836
7120.0 0.0001404 7020.19922 7020.18945
7045.0 0.0001419 7017.33838 7017.32861
7019.0 0.0001425 7014.49512 7014.48535
7098.0 0.0001409 7011.67041 7011.66064
7070.0 0.0001414 7008.86426 7008.85449
6923.0 0.0001444 7006.07715 7006.06738
7229.0 0.0001383 7003.31006 7003.30029
7020.0 0.0001425 7000.56250 7000.55273
6884.0 0.0001453 6997.83496 6997.82520
6921.0 0.0001445 6995.12793 6995.11816
7019.0 0.0001425 6992.44189 6992.43164
7204.0 0.0001388 6989.77637 6989.76660
6959.0 0.0001437 6987.13184 6987.12207
6971.0 0.0001435 6984.50928 6984.49951
6917.0 0.0001446 6981.90869 6981.89893
7042.0 0.0001420 6979.32959 6979.31982
7358.0 0.0001359 6976.77344 6976.76318
7038.0 0.0001421 6974.23926 6974.22949
6888.0 0.0001452 6971.72754 6971.71777
6830.0 0.0001464 6969.23877 6969.22900
6877.0 0.0001454 6966.77295 6966.76318
7100.0 0.0001408 6964.33008 6964.32031
6821.0 0.0001466 6961.91064 6961.90088
6985.0 0.0001432 6959.51514 6959.50537
6921.0 0.0001445 6957.14258 6957.13281
6934.0 0.0001442 6954.79395 6954.78418
7102.0 0.0001408 6952.46924 6952.45947
7037.0 0.0001421 6950.16846 6950.15820
6796.0 0.0001471 6947.89063 6947.88086
6812.0 0.0001468 6945.63770 6945.62793
7073.0 0.0001414 6943.40869 6943.39893
7013.0 0.0001426 6941.20361 6941.19385
6838.0 0.0001462 6939.02295 6939.01318
7030.0 0.0001422 6936.86621 6936.85645
7002.0 0.0001428 6934.73389 6934.72412
6823.0 0.0001466 6932.62549 6932.61572
7096.0 0.0001409 6930.54102 6930.53125
6994.0 0.0001430 6928.48096 6928.47070
6856.0 0.0001459 6926.44434 6926.43457
6918.0 0.0001446 6924.43213 6924.42236
6871.0 0.0001455 6922.44336 6922.43359
7069.0 0.0001415 6920.47900 6920.46924
6903.0 0.0001449 6918.53809 6918.52832
6874.0 0.0001455 6916.62061 6916.61084
7032.0 0.0001422 6914.72705 6914.71729
6859.0 0.0001458 6912.85645 6912.84668
7139.0 0.0001401 6911.00928 6910.99951
6918.0 0.0001446 6909.18506 6909.17529
6955.0 0.0001438 6907.38428 6907.37402
6839.0 0.0001462 6905.60547 6905.59570
6957.0 0.0001437 6903.84961 6903.83984
7144.0 0.0001400 6902.11621 6902.10645
6953.0 0.0001438 6900.40479 6900.39502
6897.0 0.0001450 6898.71533 6898.70557
6781.0 0.0001475 6897.04785 6897.03760
6777.0 0.0001476 6895.40137 6895.39160
7022.0 0.0001424 6893.77637 6893.76660
6850.0 0.0001460 6892.17285 6892.16260
6867.0 0.0001456 6890.58936 6890.57959
7113.0 0.0001406 6889.02686 6889.01660
6899.0 0.0001449 6887.48438 6887.47412
6907.0 0.0001448 6885.96143 6885.95166
6788.0 0.0001473 6884.45850 6884.44824
6723.0 0.0001487 6882.97412 6882.96436
6955.0 0.0001438 6881.50928 6881.49951
6773.0 0.0001476 6880.06299 6880.05322
6983.0 0.0001432 6878.63525 6878.62549
6765.0 0.0001478 6877.22510 6877.21533
6899.0 0.0001449 6875.83252 6875.82275
6898.0 0.0001450 6874.45752 6874.44775
6921.0 0.0001445 6873.09912 6873.08936
7024.0 0.0001424 6871.75732 6871.74707
6775.0 0.0001476 6870.43164 6870.42188
6805.0 0.0001470 6869.12158 6869.11182
6863.0 0.0001457 6867.82715 6867.81689
6850.0 0.0001460 6866.54736 6866.53760
7076.0 0.0001413 6865.28223 6865.27246
6865.0 0.0001457 6864.03125 6864.02100
6846.0 0.0001461 6862.79395 6862.78369
6930.0 0.0001443 6861.56982 6861.55957
6897.0 0.0001450 6860.35840 6860.34863
6964.0 0.0001436 6859.15967 6859.14990
6788.0 0.0001473 6857.97314 6857.96289
6830.0 0.0001464 6856.79785 6856.78760
6908.0 0.0001448 6855.63379 6855.62354
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2994.0 0.0003340 3009.57324 3040.32910
3186.0 0.0003139 3007.80249 3042.17896
2999.0 0.0003334 3006.00146 3044.70044
3115.0 0.0003210 3004.17358 3048.19556
3029.0 0.0003301 3002.32251 3052.79468
3082.0 0.0003245 3000.45435 3058.61157
3137.0 0.0003188 2998.57300 3065.72241
3019.0 0.0003312 2996.68628 3074.21533
2998.0 0.0003336 2994.79956 3083.94360
3076.0 0.0003251 2992.92139 3094.84180
3118.0 0.0003207 2991.05884 3106.67334
3280.0 0.0003049 2989.22217 3119.06177
3131.0 0.0003194 2987.42041 3131.44312
3072.0 0.0003255 2985.66406 3143.04834
3127.0 0.0003198 2983.96558 3152.91333
3097.0 0.0003229 2982.33667 3159.97388
3224.0 0.0003102 2980.79224 3163.27100
3091.0 0.0003235 2979.34595 3162.20313
3202.0 0.0003123 2978.01465 3156.73413
3060.0 0.0003268 2976.81494 3147.44482
3143.0 0.0003182 2975.76514 3135.20801
3171.0 0.0003154 2974.88550 3121.15527
3112.0 0.0003213 2974.19727 3106.30811
3036.0 0.0003294 2973.72314 3091.50537
3107.0 0.0003219 2973.48706 3077.37671
3109.0 0.0003216 2973.51538 3064.36279
3132.0 . . .
