#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:49:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179492 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/89/4338942.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_4338942
loop_
_publ_author_name
'Jin, Geng Bang'
'Choi, Eun Sang'
'Guertin, Robert P.'
'Brooks, James S.'
'Booth, Corwin H.'
'Albrecht-Schmitt, Thomas E'
_publ_section_title
;
 Syntheses, structures, magnetism, and optical properties of
 lutetium-based interlanthanide selenides.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9213
_journal_page_last               9220
_journal_paper_doi               10.1021/ic701012j
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'Gd1.87 Lu2.13 Se6'
_chemical_formula_sum            'Gd1.87 Lu2.13 Se6'
_chemical_formula_weight         1140.50
_chemical_name_common            'gadolinium lutetium selenide'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.005(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4274(12)
_cell_length_b                   4.0542(4)
_cell_length_c                   11.7160(12)
_cell_measurement_reflns_used    3465
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      1.84
_cell_volume                     513.20(9)
_computing_cell_refinement       'SMART SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3465
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    53.434
_exptl_absorpt_correction_T_max  0.39281
_exptl_absorpt_correction_T_min  0.06892
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.381
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             950
_exptl_crystal_size_max          0.352
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         4.132
_refine_diff_density_min         -2.089
_refine_diff_density_rms         0.511
_refine_ls_extinction_coef       0.00017(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1426
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0527P)²+2.1273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                1325
_reflns_number_total             1426
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            allcif.cif
_cod_data_source_block           face
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               4338942
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Gd1 Gd 0.54690(5) 0.2500 0.19497(5) 0.00915(16) Uani 0.96 2 d SP
Lu1 Lu 0.54690(5) 0.2500 0.19497(5) 0.00915(16) Uani 0.04 2 d SP
Gd2 Gd 0.18233(5) 0.2500 0.00190(4) 0.01081(16) Uani 0.60 2 d SP
Lu2 Lu 0.18233(5) 0.2500 0.00190(4) 0.01081(16) Uani 0.40 2 d SP
Gd3 Gd 0.93597(4) 0.2500 0.33432(4) 0.01051(15) Uani 0.16 2 d SP
Lu3 Lu 0.93597(4) 0.2500 0.33432(4) 0.01051(15) Uani 0.84 2 d SP
Gd4 Gd 0.65867(4) 0.2500 0.58329(4) 0.01036(15) Uani 0.14 2 d SP
Lu4 Lu 0.65867(4) 0.2500 0.58329(4) 0.01036(15) Uani 0.86 2 d SP
Se1 Se 0.41790(10) 0.2500 0.59682(9) 0.0089(2) Uani 1 2 d S
Se2 Se 0.89362(10) 0.2500 0.56062(10) 0.0105(2) Uani 1 2 d S
Se3 Se 0.24197(9) 0.2500 0.77369(9) 0.0082(2) Uani 1 2 d S
Se4 Se 0.30814(10) 0.2500 0.25301(9) 0.0104(2) Uani 1 2 d S
Se5 Se 0.98296(10) 0.2500 0.11818(10) 0.0106(2) Uani 1 2 d S
Se6 Se 0.61239(9) 0.2500 0.96408(9) 0.0080(2) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
Se6 Gd1 Se6 86.91(3) 3_656 3_666
Se6 Gd1 Se4 74.04(3) 3_656 .
Se6 Gd1 Se4 74.04(3) 3_666 .
Se6 Gd1 Se6 73.56(3) 3_656 1_554
Se6 Gd1 Se6 73.56(3) 3_666 1_554
Se4 Gd1 Se6 134.79(3) . 1_554
Se6 Gd1 Se3 145.74(3) 3_656 3_666
Se6 Gd1 Se3 85.48(2) 3_666 3_666
Se4 Gd1 Se3 134.700(18) . 3_666
Se6 Gd1 Se3 72.25(3) 1_554 3_666
Se6 Gd1 Se3 85.48(2) 3_656 3_656
Se6 Gd1 Se3 145.74(3) 3_666 3_656
Se4 Gd1 Se3 134.700(18) . 3_656
Se6 Gd1 Se3 72.25(3) 1_554 3_656
Se3 Gd1 Se3 82.31(3) 3_666 3_656
Se6 Gd1 Se1 147.53(3) 3_656 3_666
Se6 Gd1 Se1 86.72(2) 3_666 3_666
Se4 Gd1 Se1 73.59(3) . 3_666
Se6 Gd1 Se1 134.14(2) 1_554 3_666
Se3 Gd1 Se1 65.13(3) 3_666 3_666
Se3 Gd1 Se1 116.19(3) 3_656 3_666
Se6 Gd1 Se1 86.72(2) 3_656 3_656
Se6 Gd1 Se1 147.53(3) 3_666 3_656
Se4 Gd1 Se1 73.59(3) . 3_656
Se6 Gd1 Se1 134.14(2) 1_554 3_656
Se3 Gd1 Se1 116.19(3) 3_666 3_656
Se3 Gd1 Se1 65.13(3) 3_656 3_656
Se1 Gd1 Se1 81.82(3) 3_666 3_656
Se6 Gd1 Gd2 48.264(18) 3_656 .
Se6 Gd1 Gd2 48.264(18) 3_666 .
Se4 Gd1 Gd2 44.24(2) . .
Se6 Gd1 Gd2 90.55(2) 1_554 .
Se3 Gd1 Gd2 133.734(18) 3_666 .
Se3 Gd1 Gd2 133.734(18) 3_656 .
Se1 Gd1 Gd2 106.66(2) 3_666 .
Se1 Gd1 Gd2 106.66(2) 3_656 .
Se6 Gd1 Gd1 46.544(16) 3_656 1_545
Se6 Gd1 Gd1 133.457(16) 3_666 1_545
Se4 Gd1 Gd1 90.000(1) . 1_545
Se6 Gd1 Gd1 90.0 1_554 1_545
Se3 Gd1 Gd1 131.154(14) 3_666 1_545
Se3 Gd1 Gd1 48.845(14) 3_656 1_545
Se1 Gd1 Gd1 130.908(15) 3_666 1_545
Se1 Gd1 Gd1 49.092(15) 3_656 1_545
Gd2 Gd1 Gd1 90.0 . 1_545
Se6 Gd1 Gd1 133.457(16) 3_656 1_565
Se6 Gd1 Gd1 46.544(16) 3_666 1_565
Se4 Gd1 Gd1 90.0 . 1_565
Se6 Gd1 Gd1 90.0 1_554 1_565
Se3 Gd1 Gd1 48.845(14) 3_666 1_565
Se3 Gd1 Gd1 131.154(14) 3_656 1_565
Se1 Gd1 Gd1 49.092(15) 3_666 1_565
Se1 Gd1 Gd1 130.908(15) 3_656 1_565
Gd2 Gd1 Gd1 90.0 . 1_565
Gd1 Gd1 Gd1 180.0 1_545 1_565
Se5 Gd2 Se5 92.12(4) 3_655 3_665
Se5 Gd2 Se4 123.50(2) 3_655 .
Se5 Gd2 Se4 123.50(2) 3_665 .
Se5 Gd2 Se3 82.14(3) 3_655 1_554
Se5 Gd2 Se3 82.14(3) 3_665 1_554
Se4 Gd2 Se3 138.67(3) . 1_554
Se5 Gd2 Se5 75.09(3) 3_655 1_455
Se5 Gd2 Se5 75.09(3) 3_665 1_455
Se4 Gd2 Se5 74.46(3) . 1_455
Se3 Gd2 Se5 146.87(3) 1_554 1_455
Se5 Gd2 Se6 155.94(3) 3_655 3_666
Se5 Gd2 Se6 87.06(2) 3_665 3_666
Se4 Gd2 Se6 75.70(3) . 3_666
Se3 Gd2 Se6 73.92(3) 1_554 3_666
Se5 Gd2 Se6 127.48(2) 1_455 3_666
Se5 Gd2 Se6 87.06(2) 3_655 3_656
Se5 Gd2 Se6 155.94(3) 3_665 3_656
Se4 Gd2 Se6 75.70(3) . 3_656
Se3 Gd2 Se6 73.92(3) 1_554 3_656
Se5 Gd2 Se6 127.48(2) 1_455 3_656
Se6 Gd2 Se6 84.09(3) 3_666 3_656
Se5 Gd2 Gd1 132.941(19) 3_655 .
Se5 Gd2 Gd1 132.941(19) 3_665 .
Se4 Gd2 Gd1 48.27(2) . .
Se3 Gd2 Gd1 90.40(2) 1_554 .
Se5 Gd2 Gd1 122.73(3) 1_455 .
Se6 Gd2 Gd1 46.599(17) 3_666 .
Se6 Gd2 Gd1 46.599(17) 3_656 .
Se5 Gd2 Gd2 136.058(18) 3_655 1_565
Se5 Gd2 Gd2 43.942(18) 3_665 1_565
Se4 Gd2 Gd2 90.0 . 1_565
Se3 Gd2 Gd2 90.0 1_554 1_565
Se5 Gd2 Gd2 90.0 1_455 1_565
Se6 Gd2 Gd2 47.957(15) 3_666 1_565
Se6 Gd2 Gd2 132.043(15) 3_656 1_565
Gd1 Gd2 Gd2 90.0 . 1_565
Se5 Gd2 Gd2 43.942(18) 3_655 1_545
Se5 Gd2 Gd2 136.058(18) 3_665 1_545
Se4 Gd2 Gd2 90.0 . 1_545
Se3 Gd2 Gd2 90.0 1_554 1_545
Se5 Gd2 Gd2 90.0 1_455 1_545
Se6 Gd2 Gd2 132.043(15) 3_666 1_545
Se6 Gd2 Gd2 47.957(15) 3_656 1_545
Gd1 Gd2 Gd2 90.0 . 1_545
Gd2 Gd2 Gd2 180.00(4) 1_565 1_545
Se5 Gd3 Se2 95.06(3) . 3_766
Se5 Gd3 Se2 95.06(3) . 3_756
Se2 Gd3 Se2 92.65(4) 3_766 3_756
Se5 Gd3 Se2 178.63(3) . .
Se2 Gd3 Se2 84.00(3) 3_766 .
Se2 Gd3 Se2 84.00(3) 3_756 .
Se5 Gd3 Se3 85.21(3) . 3_656
Se2 Gd3 Se3 178.79(3) 3_766 3_656
Se2 Gd3 Se3 88.50(2) 3_756 3_656
Se2 Gd3 Se3 95.75(3) . 3_656
Se5 Gd3 Se3 85.21(3) . 3_666
Se2 Gd3 Se3 88.50(2) 3_766 3_666
Se2 Gd3 Se3 178.79(3) 3_756 3_666
Se2 Gd3 Se3 95.75(3) . 3_666
Se3 Gd3 Se3 90.34(3) 3_656 3_666
Se5 Gd3 Gd3 90.0 . 1_565
Se2 Gd3 Gd3 43.675(18) 3_766 1_565
Se2 Gd3 Gd3 136.326(18) 3_756 1_565
Se2 Gd3 Gd3 90.0 . 1_565
Se3 Gd3 Gd3 135.172(16) 3_656 1_565
Se3 Gd3 Gd3 44.827(16) 3_666 1_565
Se5 Gd3 Gd3 90.0 . 1_545
Se2 Gd3 Gd3 136.326(18) 3_766 1_545
Se2 Gd3 Gd3 43.675(18) 3_756 1_545
Se2 Gd3 Gd3 90.0 . 1_545
Se3 Gd3 Gd3 44.827(16) 3_656 1_545
Se3 Gd3 Gd3 135.172(16) 3_666 1_545
Gd3 Gd3 Gd3 179.999(1) 1_565 1_545
Se4 Gd4 Se4 95.86(4) 3_666 3_656
Se4 Gd4 Se2 98.59(3) 3_666 .
Se4 Gd4 Se2 98.59(3) 3_656 .
Se4 Gd4 Se1 82.81(3) 3_666 .
Se4 Gd4 Se1 82.81(3) 3_656 .
Se2 Gd4 Se1 177.88(4) . .
Se4 Gd4 Se1 170.66(4) 3_666 3_656
Se4 Gd4 Se1 86.04(2) 3_656 3_656
Se2 Gd4 Se1 90.14(3) . 3_656
Se1 Gd4 Se1 88.37(3) . 3_656
Se4 Gd4 Se1 86.04(2) 3_666 3_666
Se4 Gd4 Se1 170.66(4) 3_656 3_666
Se2 Gd4 Se1 90.14(3) . 3_666
Se1 Gd4 Se1 88.37(3) . 3_666
Se1 Gd4 Se1 90.66(3) 3_656 3_666
Se4 Gd4 Gd4 42.072(18) 3_666 1_565
Se4 Gd4 Gd4 137.929(18) 3_656 1_565
Se2 Gd4 Gd4 90.0 . 1_565
Se1 Gd4 Gd4 90.0 . 1_565
Se1 Gd4 Gd4 135.328(16) 3_656 1_565
Se1 Gd4 Gd4 44.671(17) 3_666 1_565
Se4 Gd4 Gd4 137.929(18) 3_666 1_545
Se4 Gd4 Gd4 42.072(18) 3_656 1_545
Se2 Gd4 Gd4 90.0 . 1_545
Se1 Gd4 Gd4 90.0 . 1_545
Se1 Gd4 Gd4 44.671(17) 3_656 1_545
Se1 Gd4 Gd4 135.328(17) 3_666 1_545
Gd4 Gd4 Gd4 180.0 1_565 1_545
Se4 Gd4 Gd4 127.35(3) 3_666 3_656
Se4 Gd4 Gd4 82.24(2) 3_656 3_656
Se2 Gd4 Gd4 133.88(2) . 3_656
Se1 Gd4 Gd4 44.612(18) . 3_656
Se1 Gd4 Gd4 43.76(2) 3_656 3_656
Se1 Gd4 Gd4 89.33(2) 3_666 3_656
Gd4 Gd4 Gd4 119.976(7) 1_565 3_656
Gd4 Gd4 Gd4 60.023(7) 1_545 3_656
Se4 Gd4 Gd4 82.24(2) 3_666 3_666
Se4 Gd4 Gd4 127.35(3) 3_656 3_666
Se2 Gd4 Gd4 133.88(2) . 3_666
Se1 Gd4 Gd4 44.612(18) . 3_666
Se1 Gd4 Gd4 89.33(2) 3_656 3_666
Se1 Gd4 Gd4 43.76(2) 3_666 3_666
Gd4 Gd4 Gd4 60.023(7) 1_565 3_666
Gd4 Gd4 Gd4 119.976(7) 1_545 3_666
Gd4 Gd4 Gd4 59.953(14) 3_656 3_666
Gd4 Se1 Lu4 91.63(3) . 3_656
Gd4 Se1 Gd4 91.63(3) . 3_656
Lu4 Se1 Gd4 0.000(19) 3_656 3_656
Gd4 Se1 Lu4 91.63(3) . 3_666
Lu4 Se1 Lu4 90.66(3) 3_656 3_666
Gd4 Se1 Lu4 90.66(3) 3_656 3_666
Gd4 Se1 Gd4 91.63(3) . 3_666
Lu4 Se1 Gd4 90.66(3) 3_656 3_666
Gd4 Se1 Gd4 90.66(3) 3_656 3_666
Lu4 Se1 Gd4 0.00(3) 3_666 3_666
Gd4 Se1 Lu1 99.57(3) . 3_666
Lu4 Se1 Lu1 168.20(4) 3_656 3_666
Gd4 Se1 Lu1 168.20(4) 3_656 3_666
Lu4 Se1 Lu1 92.719(13) 3_666 3_666
Gd4 Se1 Lu1 92.719(13) 3_666 3_666
Gd4 Se1 Gd1 99.57(3) . 3_666
Lu4 Se1 Gd1 168.20(4) 3_656 3_666
Gd4 Se1 Gd1 168.20(4) 3_656 3_666
Lu4 Se1 Gd1 92.719(13) 3_666 3_666
Gd4 Se1 Gd1 92.719(13) 3_666 3_666
Lu1 Se1 Gd1 0.00(2) 3_666 3_666
Gd4 Se1 Lu1 99.57(3) . 3_656
Lu4 Se1 Lu1 92.719(13) 3_656 3_656
Gd4 Se1 Lu1 92.719(13) 3_656 3_656
Lu4 Se1 Lu1 168.20(4) 3_666 3_656
Gd4 Se1 Lu1 168.20(4) 3_666 3_656
Lu1 Se1 Lu1 81.82(3) 3_666 3_656
Gd1 Se1 Lu1 81.82(3) 3_666 3_656
Gd4 Se1 Gd1 99.57(3) . 3_656
Lu4 Se1 Gd1 92.719(13) 3_656 3_656
Gd4 Se1 Gd1 92.719(13) 3_656 3_656
Lu4 Se1 Gd1 168.20(4) 3_666 3_656
Gd4 Se1 Gd1 168.20(4) 3_666 3_656
Lu1 Se1 Gd1 81.82(3) 3_666 3_656
Gd1 Se1 Gd1 81.82(3) 3_666 3_656
Lu1 Se1 Gd1 0.00(3) 3_656 3_656
Gd4 Se2 Lu3 120.80(3) . 3_766
Gd4 Se2 Gd3 120.80(3) . 3_766
Lu3 Se2 Gd3 0.0 3_766 3_766
Gd4 Se2 Lu3 120.80(3) . 3_756
Lu3 Se2 Lu3 92.65(4) 3_766 3_756
Gd3 Se2 Lu3 92.65(4) 3_766 3_756
Gd4 Se2 Gd3 120.80(3) . 3_756
Lu3 Se2 Gd3 92.65(4) 3_766 3_756
Gd3 Se2 Gd3 92.65(4) 3_766 3_756
Lu3 Se2 Gd3 0.000(18) 3_756 3_756
Gd4 Se2 Gd3 123.43(4) . .
Lu3 Se2 Gd3 96.00(3) 3_766 .
Gd3 Se2 Gd3 96.00(3) 3_766 .
Lu3 Se2 Gd3 96.00(3) 3_756 .
Gd3 Se2 Gd3 96.00(3) 3_756 .
Lu3 Se3 Gd3 0.000(16) 3_656 3_656
Lu3 Se3 Lu3 90.34(3) 3_656 3_666
Gd3 Se3 Lu3 90.34(3) 3_656 3_666
Lu3 Se3 Gd3 90.34(3) 3_656 3_666
Gd3 Se3 Gd3 90.34(3) 3_656 3_666
Lu3 Se3 Gd3 0.000(16) 3_666 3_666
Lu3 Se3 Lu2 93.44(3) 3_656 1_556
Gd3 Se3 Lu2 93.44(3) 3_656 1_556
Lu3 Se3 Lu2 93.44(3) 3_666 1_556
Gd3 Se3 Lu2 93.44(3) 3_666 1_556
Lu3 Se3 Gd2 93.44(3) 3_656 1_556
Gd3 Se3 Gd2 93.44(3) 3_656 1_556
Lu3 Se3 Gd2 93.44(3) 3_666 1_556
Gd3 Se3 Gd2 93.44(3) 3_666 1_556
Lu2 Se3 Gd2 0.000(19) 1_556 1_556
Lu3 Se3 Lu1 159.42(4) 3_656 3_666
Gd3 Se3 Lu1 159.42(4) 3_656 3_666
Lu3 Se3 Lu1 90.154(15) 3_666 3_666
Gd3 Se3 Lu1 90.154(15) 3_666 3_666
Lu2 Se3 Lu1 107.07(3) 1_556 3_666
Gd2 Se3 Lu1 107.07(3) 1_556 3_666
Lu3 Se3 Gd1 159.42(4) 3_656 3_666
Gd3 Se3 Gd1 159.42(4) 3_656 3_666
Lu3 Se3 Gd1 90.154(15) 3_666 3_666
Gd3 Se3 Gd1 90.154(15) 3_666 3_666
Lu2 Se3 Gd1 107.07(3) 1_556 3_666
Gd2 Se3 Gd1 107.07(3) 1_556 3_666
Lu1 Se3 Gd1 0.00(2) 3_666 3_666
Lu3 Se3 Lu1 90.154(15) 3_656 3_656
Gd3 Se3 Lu1 90.154(15) 3_656 3_656
Lu3 Se3 Lu1 159.42(4) 3_666 3_656
Gd3 Se3 Lu1 159.42(4) 3_666 3_656
Lu2 Se3 Lu1 107.07(3) 1_556 3_656
Gd2 Se3 Lu1 107.07(3) 1_556 3_656
Lu1 Se3 Lu1 82.31(3) 3_666 3_656
Gd1 Se3 Lu1 82.31(3) 3_666 3_656
Lu3 Se3 Gd1 90.154(15) 3_656 3_656
Gd3 Se3 Gd1 90.154(15) 3_656 3_656
Lu3 Se3 Gd1 159.42(4) 3_666 3_656
Gd3 Se3 Gd1 159.42(4) 3_666 3_656
Lu2 Se3 Gd1 107.07(3) 1_556 3_656
Gd2 Se3 Gd1 107.07(3) 1_556 3_656
Lu1 Se3 Gd1 82.31(3) 3_666 3_656
Gd1 Se3 Gd1 82.31(3) 3_666 3_656
Lu1 Se3 Gd1 0.00(2) 3_656 3_656
Lu4 Se4 Gd4 0.00(2) 3_666 3_666
Lu4 Se4 Lu4 95.86(4) 3_666 3_656
Gd4 Se4 Lu4 95.86(4) 3_666 3_656
Lu4 Se4 Gd4 95.86(4) 3_666 3_656
Gd4 Se4 Gd4 95.86(4) 3_666 3_656
Lu4 Se4 Gd4 0.00(2) 3_656 3_656
Lu4 Se4 Gd2 129.72(2) 3_666 .
Gd4 Se4 Gd2 129.72(2) 3_666 .
Lu4 Se4 Gd2 129.72(2) 3_656 .
Gd4 Se4 Gd2 129.72(2) 3_656 .
Lu4 Se4 Gd1 103.25(3) 3_666 .
Gd4 Se4 Gd1 103.25(3) 3_666 .
Lu4 Se4 Gd1 103.25(3) 3_656 .
Gd4 Se4 Gd1 103.25(3) 3_656 .
Gd2 Se4 Gd1 87.49(3) . .
Gd3 Se5 Lu2 99.18(3) . 3_655
Gd3 Se5 Gd2 99.18(3) . 3_655
Lu2 Se5 Gd2 0.00(3) 3_655 3_655
Gd3 Se5 Lu2 99.18(3) . 3_665
Lu2 Se5 Lu2 92.12(4) 3_655 3_665
Gd2 Se5 Lu2 92.12(4) 3_655 3_665
Gd3 Se5 Gd2 99.18(3) . 3_665
Lu2 Se5 Gd2 92.12(4) 3_655 3_665
Gd2 Se5 Gd2 92.12(4) 3_655 3_665
Lu2 Se5 Gd2 0.000(18) 3_665 3_665
Gd3 Se5 Lu2 144.95(4) . 1_655
Lu2 Se5 Lu2 104.91(3) 3_655 1_655
Gd2 Se5 Lu2 104.91(3) 3_655 1_655
Lu2 Se5 Lu2 104.91(3) 3_665 1_655
Gd2 Se5 Lu2 104.91(3) 3_665 1_655
Gd3 Se5 Gd2 144.95(4) . 1_655
Lu2 Se5 Gd2 104.91(3) 3_655 1_655
Gd2 Se5 Gd2 104.91(3) 3_655 1_655
Lu2 Se5 Gd2 104.91(3) 3_665 1_655
Gd2 Se5 Gd2 104.91(3) 3_665 1_655
Lu2 Se5 Gd2 0.000(19) 1_655 1_655
Lu1 Se6 Gd1 0.000(19) 3_656 3_656
Lu1 Se6 Lu1 86.91(3) 3_656 3_666
Gd1 Se6 Lu1 86.91(3) 3_656 3_666
Lu1 Se6 Gd1 86.91(3) 3_656 3_666
Gd1 Se6 Gd1 86.91(3) 3_656 3_666
Lu1 Se6 Gd1 0.00(3) 3_666 3_666
Lu1 Se6 Lu2 146.77(4) 3_656 3_666
Gd1 Se6 Lu2 146.77(4) 3_656 3_666
Lu1 Se6 Lu2 85.138(16) 3_666 3_666
Gd1 Se6 Lu2 85.138(16) 3_666 3_666
Lu1 Se6 Gd2 146.77(4) 3_656 3_666
Gd1 Se6 Gd2 146.77(4) 3_656 3_666
Lu1 Se6 Gd2 85.138(16) 3_666 3_666
Gd1 Se6 Gd2 85.138(16) 3_666 3_666
Lu2 Se6 Gd2 0.00(2) 3_666 3_666
Lu1 Se6 Lu2 85.138(16) 3_656 3_656
Gd1 Se6 Lu2 85.138(16) 3_656 3_656
Lu1 Se6 Lu2 146.77(4) 3_666 3_656
Gd1 Se6 Lu2 146.77(4) 3_666 3_656
Lu2 Se6 Lu2 84.09(3) 3_666 3_656
Gd2 Se6 Lu2 84.09(3) 3_666 3_656
Lu1 Se6 Gd2 85.138(16) 3_656 3_656
Gd1 Se6 Gd2 85.138(16) 3_656 3_656
Lu1 Se6 Gd2 146.77(4) 3_666 3_656
Gd1 Se6 Gd2 146.77(4) 3_666 3_656
Lu2 Se6 Gd2 84.09(3) 3_666 3_656
Gd2 Se6 Gd2 84.09(3) 3_666 3_656
Lu2 Se6 Gd2 0.00(2) 3_656 3_656
Lu1 Se6 Gd1 106.44(3) 3_656 1_556
Gd1 Se6 Gd1 106.44(3) 3_656 1_556
Lu1 Se6 Gd1 106.44(3) 3_666 1_556
Gd1 Se6 Gd1 106.44(3) 3_666 1_556
Lu2 Se6 Gd1 106.76(3) 3_666 1_556
Gd2 Se6 Gd1 106.76(3) 3_666 1_556
Lu2 Se6 Gd1 106.76(3) 3_656 1_556
Gd2 Se6 Gd1 106.76(3) 3_656 1_556
Lu1 Se6 Lu1 106.44(3) 3_656 1_556
Gd1 Se6 Lu1 106.44(3) 3_656 1_556
Lu1 Se6 Lu1 106.44(3) 3_666 1_556
Gd1 Se6 Lu1 106.44(3) 3_666 1_556
Lu2 Se6 Lu1 106.76(3) 3_666 1_556
Gd2 Se6 Lu1 106.76(3) 3_666 1_556
Lu2 Se6 Lu1 106.76(3) 3_656 1_556
Gd2 Se6 Lu1 106.76(3) 3_656 1_556
Gd1 Se6 Lu1 0.000(17) 1_556 1_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 Se6 2.9472(8) 3_656
Gd1 Se6 2.9472(8) 3_666
Gd1 Se4 3.0191(12) .
Gd1 Se6 3.0326(11) 1_554
Gd1 Se3 3.0803(9) 3_666
Gd1 Se3 3.0803(9) 3_656
Gd1 Se1 3.0955(9) 3_666
Gd1 Se1 3.0955(9) 3_656
Gd1 Gd2 4.0417(8) .
Gd1 Gd1 4.0542(4) 1_545
Gd1 Gd1 4.0542(4) 1_565
Gd2 Se5 2.8152(9) 3_655
Gd2 Se5 2.8152(9) 3_665
Gd2 Se4 2.8227(11) .
Gd2 Se3 2.9666(11) 1_554
Gd2 Se5 3.0112(12) 1_455
Gd2 Se6 3.0269(9) 3_666
Gd2 Se6 3.0269(9) 3_656
Gd2 Gd2 4.0542(4) 1_565
Gd2 Gd2 4.0542(4) 1_545
Gd3 Se5 2.7544(11) .
Gd3 Se2 2.8027(8) 3_766
Gd3 Se2 2.8027(8) 3_756
Gd3 Se2 2.8460(12) .
Gd3 Se3 2.8582(8) 3_656
Gd3 Se3 2.8582(8) 3_666
Gd3 Gd3 4.0542(4) 1_565
Gd3 Gd3 4.0542(4) 1_545
Gd4 Se4 2.7308(8) 3_666
Gd4 Se4 2.7308(8) 3_656
Gd4 Se2 2.7827(11) .
Gd4 Se1 2.8071(11) .
Gd4 Se1 2.8505(8) 3_656
Gd4 Se1 2.8505(8) 3_666
Gd4 Gd4 4.0542(4) 1_565
Gd4 Gd4 4.0542(4) 1_545
Gd4 Gd4 4.0571(8) 3_656
Gd4 Gd4 4.0571(8) 3_666
Se1 Lu4 2.8504(8) 3_656
Se1 Gd4 2.8504(8) 3_656
Se1 Lu4 2.8504(8) 3_666
Se1 Gd4 2.8504(8) 3_666
Se1 Lu1 3.0955(9) 3_666
Se1 Gd1 3.0955(9) 3_666
Se1 Lu1 3.0955(9) 3_656
Se1 Gd1 3.0955(9) 3_656
Se2 Lu3 2.8027(8) 3_766
Se2 Gd3 2.8027(8) 3_766
Se2 Lu3 2.8027(8) 3_756
Se2 Gd3 2.8027(8) 3_756
Se3 Lu3 2.8582(8) 3_656
Se3 Gd3 2.8582(8) 3_656
Se3 Lu3 2.8582(8) 3_666
Se3 Gd3 2.8582(8) 3_666
Se3 Lu2 2.9665(11) 1_556
Se3 Gd2 2.9665(11) 1_556
Se3 Lu1 3.0803(9) 3_666
Se3 Gd1 3.0803(9) 3_666
Se3 Lu1 3.0803(9) 3_656
Se3 Gd1 3.0803(9) 3_656
Se4 Lu4 2.7308(8) 3_666
Se4 Gd4 2.7308(8) 3_666
Se4 Lu4 2.7308(8) 3_656
Se4 Gd4 2.7308(8) 3_656
Se5 Lu2 2.8152(9) 3_655
Se5 Gd2 2.8152(9) 3_655
Se5 Lu2 2.8152(9) 3_665
Se5 Gd2 2.8152(9) 3_665
Se5 Lu2 3.0112(12) 1_655
Se5 Gd2 3.0112(12) 1_655
Se6 Lu1 2.9472(8) 3_656
Se6 Gd1 2.9472(8) 3_656
Se6 Lu1 2.9472(8) 3_666
Se6 Gd1 2.9472(8) 3_666
Se6 Lu2 3.0269(9) 3_666
Se6 Gd2 3.0269(9) 3_666
Se6 Lu2 3.0269(9) 3_656
Se6 Gd2 3.0269(9) 3_656
Se6 Gd1 3.0325(11) 1_556
Se6 Lu1 3.0325(11) 1_556
