#------------------------------------------------------------------------------
#$Date: 2021-06-16 10:59:23 +0300 (Wed, 16 Jun 2021) $
#$Revision: 266485 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/35/1563509.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_1563509
loop_
_publ_author_name
'Menard, Melissa C.'
'Xiong, Yimin'
'Karki, Amar B.'
'Drake, Brenton L.'
'Adams, Philip W.'
'Fronczek, Frank R.'
'Young, David P.'
'Chan, Julia Y.'
_publ_section_title
;
 Crystal growth and properties of Ln2Ag1−xGa10−y (Ln=La,
 Ce), a disordered variant of the Ce2NiGa10-structure type
;
_journal_issue                   9
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1935
_journal_page_last               1942
_journal_paper_doi               10.1016/j.jssc.2010.06.011
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'Ag0.62 Ga9.37 La2'
_chemical_formula_sum            'Ag0.62 Ga9.37 La2'
_chemical_formula_weight         997.97
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.3381(6)
_cell_length_b                   4.3381(6)
_cell_length_c                   26.1630(18)
_cell_measurement_reflns_used    923
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      31.00
_cell_measurement_theta_min      1.00
_cell_volume                     492.36(10)
_computing_cell_refinement
'Denzo and Scalepack(Otowinowski & Minor1997)'
_computing_data_collection       'COLLECT (Nonius 1999)'
_computing_data_reduction
'Denzo and Scalepack(Otowinowski & Minor1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       'ω and φ scans'
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            1069
_diffrn_reflns_theta_full        34.95
_diffrn_reflns_theta_max         34.95
_diffrn_reflns_theta_min         1.56
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    34.769
_exptl_absorpt_correction_T_max  0.352
_exptl_absorpt_correction_T_min  0.135
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otowinowski & Minor1997)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             864.1
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.043
_refine_diff_density_min         -1.327
_refine_diff_density_rms         0.286
_refine_ls_extinction_coef       0.0046(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.432
_refine_ls_matrix_type           full
_refine_ls_number_parameters     25
_refine_ls_number_reflns         377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.432
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0211
_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)+(0.0000P)²+8.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0453
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                314
_reflns_number_total             376
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            JSSC-2010-183-1935.cif
_cod_data_source_block           mm11-2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Tetragonal' was changed to
'tetragonal' 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.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1563509
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, -z'
'-x, -y, z'
'-x, y, -z'
'y, x, -z'
'y, -x, z'
'-y, x, z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'-x, y, z'
'x, y, -z'
'x, -y, z'
'-y, -x, z'
'-y, x, -z'
'y, -x, -z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'y+1/2, x+1/2, z+1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.0000 0.0000 0.35258(3) 0.0081(2) Uani 1 8 d S . .
Ga5 Ga 0.0000 0.0000 0.5000 0.026(4) Uani 0.15 16 d SP . .
Ag1 Ag 0.0000 0.5000 0.2500 0.0103(3) Uani 0.31 8 d SP . .
Ga1 Ga 0.0000 0.5000 0.2500 0.0103(3) Uani 0.69 8 d SP . .
Ga3 Ga 0.0000 0.0000 0.09907(5) 0.0112(3) Uani 1 8 d S . .
Ga4 Ga 0.0000 0.0000 0.19412(5) 0.0101(3) Uani 1 8 d S . .
Ga6 Ga 0.0000 0.383(2) 0.4561(3) 0.0238(18) Uani 0.29 2 d SP . .
Ga2 Ga 0.0000 0.5000 0.9520(4) 0.022(3) Uani 0.38 4 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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
Ga6 La1 Ga6 43.38(16) 6 .
Ga6 La1 Ga6 63.0(2) 6 21
Ga6 La1 Ga6 43.38(16) . 21
Ga6 La1 Ga6 43.38(16) 6 3
Ga6 La1 Ga6 63.0(2) . 3
Ga6 La1 Ga6 43.38(16) 21 3
Ga6 La1 Ga4 131.21(6) 6 25_445
Ga6 La1 Ga4 131.21(6) . 25_445
Ga6 La1 Ga4 88.40(10) 21 25_445
Ga6 La1 Ga4 88.40(10) 3 25_445
Ga6 La1 Ga4 88.40(10) 6 25
Ga6 La1 Ga4 88.40(10) . 25
Ga6 La1 Ga4 131.21(6) 21 25
Ga6 La1 Ga4 131.21(6) 3 25
Ga4 La1 Ga4 136.56(5) 25_445 25
Ga6 La1 Ga4 131.21(6) 6 25_455
Ga6 La1 Ga4 88.40(9) . 25_455
Ga6 La1 Ga4 88.40(9) 21 25_455
Ga6 La1 Ga4 131.21(6) 3 25_455
Ga4 La1 Ga4 82.129(17) 25_445 25_455
Ga4 La1 Ga4 82.129(17) 25 25_455
Ga6 La1 Ga4 88.40(9) 6 25_545
Ga6 La1 Ga4 131.21(6) . 25_545
Ga6 La1 Ga4 131.21(6) 21 25_545
Ga6 La1 Ga4 88.40(9) 3 25_545
Ga4 La1 Ga4 82.129(17) 25_445 25_545
Ga4 La1 Ga4 82.129(17) 25 25_545
Ga4 La1 Ga4 136.56(5) 25_455 25_545
Ga6 La1 Ga3 48.19(6) 6 25
Ga6 La1 Ga3 48.19(6) . 25
Ga6 La1 Ga3 90.96(10) 21 25
Ga6 La1 Ga3 90.96(10) 3 25
Ga4 La1 Ga3 179.31(4) 25_445 25
Ga4 La1 Ga3 44.13(3) 25 25
Ga4 La1 Ga3 98.111(11) 25_455 25
Ga4 La1 Ga3 98.111(11) 25_545 25
Ga6 La1 Ga3 90.96(10) 6 25_445
Ga6 La1 Ga3 90.96(10) . 25_445
Ga6 La1 Ga3 48.19(6) 21 25_445
Ga6 La1 Ga3 48.19(6) 3 25_445
Ga4 La1 Ga3 44.13(3) 25_445 25_445
Ga4 La1 Ga3 179.31(4) 25 25_445
Ga4 La1 Ga3 98.111(11) 25_455 25_445
Ga4 La1 Ga3 98.111(11) 25_545 25_445
Ga3 La1 Ga3 135.18(5) 25 25_445
Ga6 La1 Ga3 90.96(10) 6 25_455
Ga6 La1 Ga3 48.19(6) . 25_455
Ga6 La1 Ga3 48.19(6) 21 25_455
Ga6 La1 Ga3 90.96(10) 3 25_455
Ga4 La1 Ga3 98.111(11) 25_445 25_455
Ga4 La1 Ga3 98.111(11) 25 25_455
Ga4 La1 Ga3 44.13(3) 25_455 25_455
Ga4 La1 Ga3 179.31(4) 25_545 25_455
Ga3 La1 Ga3 81.642(17) 25 25_455
Ga3 La1 Ga3 81.642(17) 25_445 25_455
Ga6 La1 Ga3 48.19(6) 6 25_545
Ga6 La1 Ga3 90.96(10) . 25_545
Ga6 La1 Ga3 90.96(10) 21 25_545
Ga6 La1 Ga3 48.19(6) 3 25_545
Ga4 La1 Ga3 98.111(11) 25_445 25_545
Ga4 La1 Ga3 98.111(11) 25 25_545
Ga4 La1 Ga3 179.31(4) 25_455 25_545
Ga4 La1 Ga3 44.13(3) 25_545 25_545
Ga3 La1 Ga3 81.642(17) 25 25_545
Ga3 La1 Ga3 81.642(17) 25_445 25_545
Ga3 La1 Ga3 135.18(5) 25_455 25_545
Ga6 Ga5 Ga6 71.1(3) 5_556 19_556
Ga6 Ga5 Ga6 110.7(5) 5_556 22_556
Ga6 Ga5 Ga6 71.1(3) 19_556 22_556
Ga6 Ga5 Ga6 71.1(3) 5_556 17_556
Ga6 Ga5 Ga6 110.7(5) 19_556 17_556
Ga6 Ga5 Ga6 71.1(3) 22_556 17_556
Ga6 Ga5 Ga6 180.000(1) 5_556 21
Ga6 Ga5 Ga6 108.9(3) 19_556 21
Ga6 Ga5 Ga6 69.3(5) 22_556 21
Ga6 Ga5 Ga6 108.9(3) 17_556 21
Ga6 Ga5 Ga6 108.9(3) 5_556 3
Ga6 Ga5 Ga6 180.000(1) 19_556 3
Ga6 Ga5 Ga6 108.9(3) 22_556 3
Ga6 Ga5 Ga6 69.3(5) 17_556 3
Ga6 Ga5 Ga6 71.1(3) 21 3
Ga6 Ga5 Ga6 108.9(3) 5_556 .
Ga6 Ga5 Ga6 69.3(5) 19_556 .
Ga6 Ga5 Ga6 108.9(3) 22_556 .
Ga6 Ga5 Ga6 180.0(3) 17_556 .
Ga6 Ga5 Ga6 71.1(3) 21 .
Ga6 Ga5 Ga6 110.7(5) 3 .
Ga6 Ga5 Ga6 69.3(5) 5_556 6
Ga6 Ga5 Ga6 108.9(3) 19_556 6
Ga6 Ga5 Ga6 180.0(3) 22_556 6
Ga6 Ga5 Ga6 108.9(3) 17_556 6
Ga6 Ga5 Ga6 110.7(5) 21 6
Ga6 Ga5 Ga6 71.1(3) 3 6
Ga6 Ga5 Ga6 71.1(3) . 6
Ga6 Ga5 Ga2 73.45(6) 5_556 13_456
Ga6 Ga5 Ga2 4.6(4) 19_556 13_456
Ga6 Ga5 Ga2 73.45(6) 22_556 13_456
Ga6 Ga5 Ga2 115.28(15) 17_556 13_456
Ga6 Ga5 Ga2 106.55(6) 21 13_456
Ga6 Ga5 Ga2 175.4(4) 3 13_456
Ga6 Ga5 Ga2 64.72(15) . 13_456
Ga6 Ga5 Ga2 106.55(6) 6 13_456
Ga6 Ga5 Ga2 4.6(4) 5_556 25_556
Ga6 Ga5 Ga2 73.45(6) 19_556 25_556
Ga6 Ga5 Ga2 115.28(15) 22_556 25_556
Ga6 Ga5 Ga2 73.45(6) 17_556 25_556
Ga6 Ga5 Ga2 175.4(4) 21 25_556
Ga6 Ga5 Ga2 106.55(6) 3 25_556
Ga6 Ga5 Ga2 106.55(6) . 25_556
Ga6 Ga5 Ga2 64.72(15) 6 25_556
Ga2 Ga5 Ga2 75.46(17) 13_456 25_556
Ga6 Ga5 Ga2 73.45(6) 5_556 13_446
Ga6 Ga5 Ga2 115.28(15) 19_556 13_446
Ga6 Ga5 Ga2 73.45(6) 22_556 13_446
Ga6 Ga5 Ga2 4.6(4) 17_556 13_446
Ga6 Ga5 Ga2 106.55(6) 21 13_446
Ga6 Ga5 Ga2 64.72(15) 3 13_446
Ga6 Ga5 Ga2 175.4(4) . 13_446
Ga6 Ga5 Ga2 106.55(6) 6 13_446
Ga2 Ga5 Ga2 119.9(4) 13_456 13_446
Ga2 Ga5 Ga2 75.46(17) 25_556 13_446
Ga6 Ga5 Ga2 115.28(15) 5_556 25_456
Ga6 Ga5 Ga2 73.45(6) 19_556 25_456
Ga6 Ga5 Ga2 4.6(4) 22_556 25_456
Ga6 Ga5 Ga2 73.45(6) 17_556 25_456
Ga6 Ga5 Ga2 64.72(15) 21 25_456
Ga6 Ga5 Ga2 106.55(6) 3 25_456
Ga6 Ga5 Ga2 106.55(6) . 25_456
Ga6 Ga5 Ga2 175.4(4) 6 25_456
Ga2 Ga5 Ga2 75.46(17) 13_456 25_456
Ga2 Ga5 Ga2 119.9(4) 25_556 25_456
Ga2 Ga5 Ga2 75.46(17) 13_446 25_456
Ga4 Ag1 Ga4 108.20(2) 25 .
Ga4 Ag1 Ga4 112.04(5) 25 25_455
Ga4 Ag1 Ga4 108.20(2) . 25_455
Ga4 Ag1 Ga4 108.20(2) 25 1_565
Ga4 Ag1 Ga4 112.04(5) . 1_565
Ga4 Ag1 Ga4 108.20(2) 25_455 1_565
Ga4 Ag1 Ga1 54.100(12) 25 25_565
Ga4 Ag1 Ga1 125.899(12) . 25_565
Ga4 Ag1 Ga1 125.900(12) 25_455 25_565
Ga4 Ag1 Ga1 54.100(12) 1_565 25_565
Ga4 Ag1 Ga1 125.900(12) 25 25_455
Ga4 Ag1 Ga1 54.100(12) . 25_455
Ga4 Ag1 Ga1 54.101(12) 25_455 25_455
Ga4 Ag1 Ga1 125.899(12) 1_565 25_455
Ga1 Ag1 Ga1 180.0 25_565 25_455
Ga4 Ag1 Ag1 125.900(12) 25 25_455
Ga4 Ag1 Ag1 54.100(12) . 25_455
Ga4 Ag1 Ag1 54.101(12) 25_455 25_455
Ga4 Ag1 Ag1 125.899(12) 1_565 25_455
Ga1 Ag1 Ag1 180.0 25_565 25_455
Ga1 Ag1 Ag1 0.0 25_455 25_455
Ga4 Ag1 Ag1 54.100(12) 25 25_565
Ga4 Ag1 Ag1 125.899(12) . 25_565
Ga4 Ag1 Ag1 125.900(12) 25_455 25_565
Ga4 Ag1 Ag1 54.100(12) 1_565 25_565
Ga1 Ag1 Ag1 0.0 25_565 25_565
Ga1 Ag1 Ag1 180.0 25_455 25_565
Ag1 Ag1 Ag1 180.0 25_455 25_565
Ga4 Ag1 Ga1 125.900(12) 25 25_465
Ga4 Ag1 Ga1 125.899(12) . 25_465
Ga4 Ag1 Ga1 54.101(12) 25_455 25_465
Ga4 Ag1 Ga1 54.100(12) 1_565 25_465
Ga1 Ag1 Ga1 90.0 25_565 25_465
Ga1 Ag1 Ga1 90.0 25_455 25_465
Ag1 Ag1 Ga1 90.0 25_455 25_465
Ag1 Ag1 Ga1 90.0 25_565 25_465
Ga4 Ag1 Ag1 125.900(12) 25 25_465
Ga4 Ag1 Ag1 125.899(12) . 25_465
Ga4 Ag1 Ag1 54.101(12) 25_455 25_465
Ga4 Ag1 Ag1 54.100(12) 1_565 25_465
Ga1 Ag1 Ag1 90.0 25_565 25_465
Ga1 Ag1 Ag1 90.0 25_455 25_465
Ag1 Ag1 Ag1 90.0 25_455 25_465
Ag1 Ag1 Ag1 90.0 25_565 25_465
Ga1 Ag1 Ag1 0.0 25_465 25_465
Ga4 Ag1 Ag1 54.101(12) 25 25
Ga4 Ag1 Ag1 54.100(12) . 25
Ga4 Ag1 Ag1 125.900(12) 25_455 25
Ga4 Ag1 Ag1 125.899(12) 1_565 25
Ga1 Ag1 Ag1 90.0 25_565 25
Ga1 Ag1 Ag1 90.0 25_455 25
Ag1 Ag1 Ag1 90.0 25_455 25
Ag1 Ag1 Ag1 90.0 25_565 25
Ga1 Ag1 Ag1 180.0 25_465 25
Ag1 Ag1 Ag1 180.0 25_465 25
Ga4 Ag1 Ga1 54.101(12) 25 25
Ga4 Ag1 Ga1 54.100(12) . 25
Ga4 Ag1 Ga1 125.900(12) 25_455 25
Ga4 Ag1 Ga1 125.899(12) 1_565 25
Ga1 Ag1 Ga1 90.0 25_565 25
Ga1 Ag1 Ga1 90.0 25_455 25
Ag1 Ag1 Ga1 90.0 25_455 25
Ag1 Ag1 Ga1 90.0 25_565 25
Ga1 Ag1 Ga1 180.0 25_465 25
Ag1 Ag1 Ga1 180.0 25_465 25
Ag1 Ag1 Ga1 0.0 25 25
Ga4 Ga3 Ga2 121.63(19) . 5_456
Ga4 Ga3 Ga2 121.63(19) . 17_556
Ga2 Ga3 Ga2 74.04(17) 5_456 17_556
Ga4 Ga3 Ga2 121.63(19) . 5_556
Ga2 Ga3 Ga2 116.7(4) 5_456 5_556
Ga2 Ga3 Ga2 74.04(17) 17_556 5_556
Ga4 Ga3 Ga2 121.63(19) . 17_566
Ga2 Ga3 Ga2 74.04(17) 5_456 17_566
Ga2 Ga3 Ga2 116.7(4) 17_556 17_566
Ga2 Ga3 Ga2 74.04(17) 5_556 17_566
Ga4 Ga3 Ga6 122.95(14) . 13_445
Ga2 Ga3 Ga6 63.37(19) 5_456 13_445
Ga2 Ga3 Ga6 11.21(17) 17_556 13_445
Ga2 Ga3 Ga6 82.98(16) 5_556 13_445
Ga2 Ga3 Ga6 114.23(11) 17_566 13_445
Ga4 Ga3 Ga6 122.95(14) . 27_445
Ga2 Ga3 Ga6 11.21(17) 5_456 27_445
Ga2 Ga3 Ga6 63.37(19) 17_556 27_445
Ga2 Ga3 Ga6 114.23(11) 5_556 27_445
Ga2 Ga3 Ga6 82.98(16) 17_566 27_445
Ga6 Ga3 Ga6 52.5(3) 13_445 27_445
Ga4 Ga3 Ga6 122.95(14) . 30_545
Ga2 Ga3 Ga6 82.98(16) 5_456 30_545
Ga2 Ga3 Ga6 11.21(17) 17_556 30_545
Ga2 Ga3 Ga6 63.37(19) 5_556 30_545
Ga2 Ga3 Ga6 114.23(11) 17_566 30_545
Ga6 Ga3 Ga6 22.1(4) 13_445 30_545
Ga6 Ga3 Ga6 72.79(13) 27_445 30_545
Ga4 Ga3 Ga6 122.95(14) . 25_455
Ga2 Ga3 Ga6 11.21(17) 5_456 25_455
Ga2 Ga3 Ga6 82.98(16) 17_556 25_455
Ga2 Ga3 Ga6 114.23(11) 5_556 25_455
Ga2 Ga3 Ga6 63.37(19) 17_566 25_455
Ga6 Ga3 Ga6 72.79(13) 13_445 25_455
Ga6 Ga3 Ga6 22.1(4) 27_445 25_455
Ga6 Ga3 Ga6 91.0(4) 30_545 25_455
Ga4 Ga3 Ga6 122.95(14) . 30
Ga2 Ga3 Ga6 82.98(16) 5_456 30
Ga2 Ga3 Ga6 114.23(11) 17_556 30
Ga2 Ga3 Ga6 63.37(19) 5_556 30
Ga2 Ga3 Ga6 11.21(17) 17_566 30
Ga6 Ga3 Ga6 114.1(3) 13_445 30
Ga6 Ga3 Ga6 91.0(4) 27_445 30
Ga6 Ga3 Ga6 109.6(2) 30_545 30
Ga6 Ga3 Ga6 72.79(13) 25_455 30
Ga4 Ga3 Ga6 122.95(14) . 25
Ga2 Ga3 Ga6 114.23(11) 5_456 25
Ga2 Ga3 Ga6 82.98(16) 17_556 25
Ga2 Ga3 Ga6 11.21(17) 5_556 25
Ga2 Ga3 Ga6 63.37(19) 17_566 25
Ga6 Ga3 Ga6 91.0(4) 13_445 25
Ga6 Ga3 Ga6 114.1(3) 27_445 25
Ga6 Ga3 Ga6 72.79(13) 30_545 25
Ga6 Ga3 Ga6 109.6(2) 25_455 25
Ga6 Ga3 Ga6 52.5(3) 30 25
Ga4 Ga3 Ga6 122.95(14) . 27_545
Ga2 Ga3 Ga6 114.23(11) 5_456 27_545
Ga2 Ga3 Ga6 63.37(19) 17_556 27_545
Ga2 Ga3 Ga6 11.21(17) 5_556 27_545
Ga2 Ga3 Ga6 82.98(16) 17_566 27_545
Ga6 Ga3 Ga6 72.79(13) 13_445 27_545
Ga6 Ga3 Ga6 109.6(2) 27_445 27_545
Ga6 Ga3 Ga6 52.5(3) 30_545 27_545
Ga6 Ga3 Ga6 114.1(3) 25_455 27_545
Ga6 Ga3 Ga6 72.79(13) 30 27_545
Ga6 Ga3 Ga6 22.1(4) 25 27_545
Ga3 Ga4 Ga1 123.98(2) . 25
Ga3 Ga4 Ag1 123.98(2) . 25
Ga1 Ga4 Ag1 0.0 25 25
Ga3 Ga4 Ga1 123.98(2) . 25_455
Ga1 Ga4 Ga1 112.04(5) 25 25_455
Ag1 Ga4 Ga1 112.04(5) 25 25_455
Ga3 Ga4 Ga1 123.98(2) . 1_545
Ga1 Ga4 Ga1 71.80(2) 25 1_545
Ag1 Ga4 Ga1 71.80(2) 25 1_545
Ga1 Ga4 Ga1 71.80(2) 25_455 1_545
Ga3 Ga4 Ag1 123.98(2) . 25_455
Ga1 Ga4 Ag1 112.04(5) 25 25_455
Ag1 Ga4 Ag1 112.04(5) 25 25_455
Ga1 Ga4 Ag1 0.0 25_455 25_455
Ga1 Ga4 Ag1 71.80(2) 1_545 25_455
Ga3 Ga4 Ag1 123.98(2) . 1_545
Ga1 Ga4 Ag1 71.80(2) 25 1_545
Ag1 Ga4 Ag1 71.80(2) 25 1_545
Ga1 Ga4 Ag1 71.80(2) 25_455 1_545
Ga1 Ga4 Ag1 0.0 1_545 1_545
Ag1 Ga4 Ag1 71.80(2) 25_455 1_545
Ga3 Ga4 Ag1 123.98(2) . .
Ga1 Ga4 Ag1 71.80(2) 25 .
Ag1 Ga4 Ag1 71.80(2) 25 .
Ga1 Ga4 Ag1 71.80(2) 25_455 .
Ga1 Ga4 Ag1 112.04(5) 1_545 .
Ag1 Ga4 Ag1 71.80(2) 25_455 .
Ag1 Ga4 Ag1 112.04(5) 1_545 .
Ga3 Ga4 La1 68.28(2) . 25_445
Ga1 Ga4 La1 138.726(13) 25 25_445
Ag1 Ga4 La1 138.726(13) 25 25_445
Ga1 Ga4 La1 70.250(10) 25_455 25_445
Ga1 Ga4 La1 70.250(10) 1_545 25_445
Ag1 Ga4 La1 70.250(10) 25_455 25_445
Ag1 Ga4 La1 70.250(10) 1_545 25_445
Ag1 Ga4 La1 138.726(13) . 25_445
Ga3 Ga4 La1 68.28(2) . 25
Ga1 Ga4 La1 70.250(10) 25 25
Ag1 Ga4 La1 70.250(10) 25 25
Ga1 Ga4 La1 138.726(13) 25_455 25
Ga1 Ga4 La1 138.726(13) 1_545 25
Ag1 Ga4 La1 138.726(13) 25_455 25
Ag1 Ga4 La1 138.726(13) 1_545 25
Ag1 Ga4 La1 70.250(10) . 25
La1 Ga4 La1 136.56(5) 25_445 25
Ga3 Ga4 La1 68.28(2) . 25_545
Ga1 Ga4 La1 70.250(10) 25 25_545
Ag1 Ga4 La1 70.250(10) 25 25_545
Ga1 Ga4 La1 138.726(13) 25_455 25_545
Ga1 Ga4 La1 70.250(10) 1_545 25_545
Ag1 Ga4 La1 138.726(13) 25_455 25_545
Ag1 Ga4 La1 70.250(10) 1_545 25_545
Ag1 Ga4 La1 138.726(13) . 25_545
La1 Ga4 La1 82.129(17) 25_445 25_545
La1 Ga4 La1 82.129(17) 25 25_545
Ga2 Ga6 Ga6 12.0(19) 29_554 3_565
Ga2 Ga6 Ga5 157(2) 29_554 .
Ga6 Ga6 Ga5 145.3(3) 3_565 .
Ga2 Ga6 Ga6 102.0(19) 29_554 19_556
Ga6 Ga6 Ga6 90.000(2) 3_565 19_556
Ga5 Ga6 Ga6 55.3(3) . 19_556
Ga2 Ga6 Ga6 133.8(4) 29_554 21
Ga6 Ga6 Ga6 135.000(13) 3_565 21
Ga5 Ga6 Ga6 54.43(13) . 21
Ga6 Ga6 Ga6 90.000(1) 19_556 21
Ga2 Ga6 Ga6 133.8(4) 29_554 6
Ga6 Ga6 Ga6 135.000(18) 3_565 6
Ga5 Ga6 Ga6 54.43(13) . 6
Ga6 Ga6 Ga6 90.0 19_556 6
Ga6 Ga6 Ga6 90.000(3) 21 6
Ga2 Ga6 Ga2 90(2) 29_554 13_456
Ga6 Ga6 Ga2 78.1(2) 3_565 13_456
Ga5 Ga6 Ga2 67.28(13) . 13_456
Ga6 Ga6 Ga2 11.9(2) 19_556 13_456
Ga6 Ga6 Ga2 98.41(16) 21 13_456
Ga6 Ga6 Ga2 98.41(15) 6 13_456
Ga2 Ga6 Ga6 78(2) 29_554 17_566
Ga6 Ga6 Ga6 66.1(3) 3_565 17_566
Ga5 Ga6 Ga6 79.2(3) . 17_566
Ga6 Ga6 Ga6 23.9(3) 19_556 17_566
Ga6 Ga6 Ga6 106.6(2) 21 17_566
Ga6 Ga6 Ga6 106.6(2) 6 17_566
Ga2 Ga6 Ga6 11.94(15) 13_456 17_566
Ga2 Ga6 Ga3 72.5(9) 29_554 25_455
Ga6 Ga6 Ga3 79.0(2) 3_565 25_455
Ga5 Ga6 Ga3 117.8(2) . 25_455
Ga6 Ga6 Ga3 122.95(14) 19_556 25_455
Ga6 Ga6 Ga3 63.74(16) 21 25_455
Ga6 Ga6 Ga3 135.5(2) 6 25_455
Ga2 Ga6 Ga3 119.5(2) 13_456 25_455
Ga6 Ga6 Ga3 114.8(3) 17_566 25_455
Ga2 Ga6 Ga3 72.5(9) 29_554 25
Ga6 Ga6 Ga3 79.0(2) 3_565 25
Ga5 Ga6 Ga3 117.8(2) . 25
Ga6 Ga6 Ga3 122.95(14) 19_556 25
Ga6 Ga6 Ga3 135.5(2) 21 25
Ga6 Ga6 Ga3 63.74(16) 6 25
Ga2 Ga6 Ga3 119.5(2) 13_456 25
Ga6 Ga6 Ga3 114.8(3) 17_566 25
Ga3 Ga6 Ga3 109.6(2) 25_455 25
Ga2 Ga6 Ga2 125.9(4) 29_554 9_444
Ga6 Ga6 Ga2 127.41(14) 3_565 9_444
Ga5 Ga6 Ga2 61.49(16) . 9_444
Ga6 Ga6 Ga2 92.3(3) 19_556 9_444
Ga6 Ga6 Ga2 7.89(12) 21 9_444
Ga6 Ga6 Ga2 97.55(15) 6 9_444
Ga2 Ga6 Ga2 99.5(3) 13_456 9_444
Ga6 Ga6 Ga2 106.4(3) 17_566 9_444
Ga3 Ga6 Ga2 56.4(2) 25_455 9_444
Ga3 Ga6 Ga2 138.0(5) 25 9_444
Ga2 Ga6 Ga2 125.9(4) 29_554 9_544
Ga6 Ga6 Ga2 127.41(15) 3_565 9_544
Ga5 Ga6 Ga2 61.49(16) . 9_544
Ga6 Ga6 Ga2 92.3(3) 19_556 9_544
Ga6 Ga6 Ga2 97.55(15) 21 9_544
Ga6 Ga6 Ga2 7.89(13) 6 9_544
Ga2 Ga6 Ga2 99.5(3) 13_456 9_544
Ga6 Ga6 Ga2 106.4(3) 17_566 9_544
Ga3 Ga6 Ga2 138.0(5) 25_455 9_544
Ga3 Ga6 Ga2 56.4(2) 25 9_544
Ga2 Ga6 Ga2 105.0(3) 9_444 9_544
Ga6 Ga2 Ga6 156(4) 29 14_455
Ga6 Ga2 Ga6 66.1(17) 29 30_556
Ga6 Ga2 Ga6 90(2) 14_455 30_556
Ga6 Ga2 Ga6 90(2) 29 13_456
Ga6 Ga2 Ga6 66.1(17) 14_455 13_456
Ga6 Ga2 Ga6 23.9(4) 30_556 13_456
Ga6 Ga2 Ga5 18.1(17) 29 9
Ga6 Ga2 Ga5 138(2) 14_455 9
Ga6 Ga2 Ga5 47.99(19) 30_556 9
Ga6 Ga2 Ga5 71.9(4) 13_456 9
Ga6 Ga2 Ga5 138(2) 29 9_455
Ga6 Ga2 Ga5 18.1(17) 14_455 9_455
Ga6 Ga2 Ga5 71.9(4) 30_556 9_455
Ga6 Ga2 Ga5 47.99(19) 13_456 9_455
Ga5 Ga2 Ga5 119.9(4) 9 9_455
Ga6 Ga2 Ga2 78.0(19) 29 17_567
Ga6 Ga2 Ga2 78.0(19) 14_455 17_567
Ga6 Ga2 Ga2 11.9(2) 30_556 17_567
Ga6 Ga2 Ga2 11.9(2) 13_456 17_567
Ga5 Ga2 Ga2 59.93(19) 9 17_567
Ga5 Ga2 Ga2 59.93(19) 9_455 17_567
Ga6 Ga2 Ga3 96.3(9) 29 17_556
Ga6 Ga2 Ga3 96.3(9) 14_455 17_556
Ga6 Ga2 Ga3 120.87(16) 30_556 17_556
Ga6 Ga2 Ga3 120.87(16) 13_456 17_556
Ga5 Ga2 Ga3 105.235(15) 9 17_556
Ga5 Ga2 Ga3 105.235(15) 9_455 17_556
Ga2 Ga2 Ga3 121.63(19) 17_567 17_556
Ga6 Ga2 Ga3 96.3(9) 29 17_566
Ga6 Ga2 Ga3 96.3(9) 14_455 17_566
Ga6 Ga2 Ga3 120.87(16) 30_556 17_566
Ga6 Ga2 Ga3 120.87(16) 13_456 17_566
Ga5 Ga2 Ga3 105.235(15) 9 17_566
Ga5 Ga2 Ga3 105.235(15) 9_455 17_566
Ga2 Ga2 Ga3 121.63(19) 17_567 17_566
Ga3 Ga2 Ga3 116.7(4) 17_556 17_566
Ga6 Ga2 Ga6 38.3(4) 29 9
Ga6 Ga2 Ga6 140.2(9) 14_455 9
Ga6 Ga2 Ga6 78.3(3) 30_556 9
Ga6 Ga2 Ga6 97.2(5) 13_456 9
Ga5 Ga2 Ga6 45.06(12) 9 9
Ga5 Ga2 Ga6 131.8(4) 9_455 9
Ga2 Ga2 Ga6 87.7(3) 17_567 9
Ga3 Ga2 Ga6 122.5(3) 17_556 9
Ga3 Ga2 Ga6 60.23(13) 17_566 9
Ga6 Ga2 Ga6 140.2(8) 29 11_455
Ga6 Ga2 Ga6 38.3(4) 14_455 11_455
Ga6 Ga2 Ga6 97.2(5) 30_556 11_455
Ga6 Ga2 Ga6 78.3(3) 13_456 11_455
Ga5 Ga2 Ga6 131.8(4) 9 11_455
Ga5 Ga2 Ga6 45.06(12) 9_455 11_455
Ga2 Ga2 Ga6 87.7(3) 17_567 11_455
Ga3 Ga2 Ga6 60.23(13) 17_556 11_455
Ga3 Ga2 Ga6 122.5(3) 17_566 11_455
Ga6 Ga2 Ga6 175.5(7) 9 11_455
Ga6 Ga2 Ga6 140.2(9) 29 9_455
Ga6 Ga2 Ga6 38.3(4) 14_455 9_455
Ga6 Ga2 Ga6 97.2(5) 30_556 9_455
Ga6 Ga2 Ga6 78.3(3) 13_456 9_455
Ga5 Ga2 Ga6 131.8(4) 9 9_455
Ga5 Ga2 Ga6 45.06(12) 9_455 9_455
Ga2 Ga2 Ga6 87.7(3) 17_567 9_455
Ga3 Ga2 Ga6 122.5(4) 17_556 9_455
Ga3 Ga2 Ga6 60.23(13) 17_566 9_455
Ga6 Ga2 Ga6 105.0(3) 9 9_455
Ga6 Ga2 Ga6 74.8(3) 11_455 9_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Ga6 3.178(9) 6
La1 Ga6 3.178(9) .
La1 Ga6 3.178(9) 21
La1 Ga6 3.178(9) 3
La1 Ga4 3.3019(7) 25_445
La1 Ga4 3.3019(7) 25
La1 Ga4 3.3019(7) 25_455
La1 Ga4 3.3019(7) 25_545
La1 Ga3 3.3181(7) 25
La1 Ga3 3.3181(7) 25_445
La1 Ga3 3.3181(7) 25_455
La1 Ga3 3.3181(7) 25_545
Ga5 Ga6 2.019(7) 5_556
Ga5 Ga6 2.019(7) 19_556
Ga5 Ga6 2.019(7) 22_556
Ga5 Ga6 2.019(7) 17_556
Ga5 Ga6 2.019(7) 21
Ga5 Ga6 2.019(7) 3
Ga5 Ga6 2.019(7) .
Ga5 Ga6 2.019(7) 6
Ga5 Ga2 2.506(5) 13_456
Ga5 Ga2 2.506(5) 25_556
Ga5 Ga2 2.506(5) 13_446
Ga5 Ga2 2.506(5) 25_456
Ag1 Ga4 2.6157(8) 25
Ag1 Ga4 2.6157(8) .
Ag1 Ga4 2.6157(8) 25_455
Ag1 Ga4 2.6157(8) 1_565
Ag1 Ga1 3.0675(4) 25_565
Ag1 Ga1 3.0675(4) 25_455
Ag1 Ag1 3.0675(4) 25_455
Ag1 Ag1 3.0675(4) 25_565
Ag1 Ga1 3.0675(4) 25_465
Ag1 Ag1 3.0675(4) 25_465
Ag1 Ag1 3.0675(4) 25
Ag1 Ga1 3.0675(4) 25
Ga3 Ga4 2.4870(19) .
Ga3 Ga2 2.547(5) 5_456
Ga3 Ga2 2.547(5) 17_556
Ga3 Ga2 2.547(5) 5_556
Ga3 Ga2 2.547(5) 17_566
Ga3 Ga6 2.655(3) 13_445
Ga3 Ga6 2.655(3) 27_445
Ga3 Ga6 2.655(3) 30_545
Ga3 Ga6 2.655(3) 25_455
Ga3 Ga6 2.655(3) 30
Ga3 Ga6 2.655(3) 25
Ga3 Ga6 2.655(3) 27_545
Ga4 Ga1 2.6157(8) 25
Ga4 Ag1 2.6157(8) 25
Ga4 Ga1 2.6157(8) 25_455
Ga4 Ga1 2.6157(8) 1_545
Ga4 Ag1 2.6157(8) 25_455
Ga4 Ag1 2.6157(8) 1_545
Ga4 La1 3.3019(7) 25_445
Ga4 La1 3.3019(7) 25
Ga4 La1 3.3019(7) 25_545
Ga6 Ga2 0.519(8) 29_554
Ga6 Ga6 1.016(19) 3_565
Ga6 Ga6 2.296(13) 19_556
Ga6 Ga6 2.349(13) 21
Ga6 Ga6 2.349(13) 6
Ga6 Ga2 2.457(4) 13_456
Ga6 Ga6 2.511(17) 17_566
Ga6 Ga3 2.655(3) 25_455
Ga6 Ga3 2.655(3) 25
Ga6 Ga2 2.734(6) 9_444
Ga6 Ga2 2.734(6) 9_544
Ga2 Ga6 0.519(8) 29
Ga2 Ga6 0.519(8) 14_455
Ga2 Ga6 2.457(4) 30_556
Ga2 Ga6 2.457(4) 13_456
Ga2 Ga5 2.506(5) 9
Ga2 Ga5 2.506(5) 9_455
Ga2 Ga2 2.512(19) 17_567
Ga2 Ga3 2.547(5) 17_556
Ga2 Ga3 2.547(5) 17_566
Ga2 Ga6 2.734(6) 9
Ga2 Ga6 2.734(6) 11_455
Ga2 Ga6 2.734(6) 9_455
