#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:42:42 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256103 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/49/7704959.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_7704959
loop_
_publ_author_name
'Freccero, R.'
'De Negri, S.'
'Saccone, A.'
'Solokha, P.'
_publ_section_title
;
 Solid state interactions in the La-Au-Mg system: phase equilibria, novel
 compounds and chemical bonding.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12056
_journal_page_last               12067
_journal_paper_doi               10.1039/d0dt02359k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         0.36(Mg4),
_chemical_formula_sum            'Au3 La1.82 Mg14.36'
_chemical_formula_weight         1192.81
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-23 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.9663(14)
_cell_length_b                   9.9663(14)
_cell_length_c                   9.938(2)
_cell_measurement_reflns_used    477
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.506
_cell_measurement_theta_min      2.360
_cell_volume                     854.9(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'ω 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  0.0499
_diffrn_reflns_av_unetI/netI     0.0146
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19703
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.506
_diffrn_reflns_theta_min         2.360
_exptl_absorpt_coefficient_mu    30.602
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.28
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_diffrn    4.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.115
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.237
_refine_ls_extinction_coef       0.00042(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         583
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0293P)²+4.1847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0528
_refine_ls_wR_factor_ref         0.0566
_reflns_Friedel_coverage         0.000
_reflns_number_gt                477
_reflns_number_total             583
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02359k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7704959--7704962.cif.'
_cod_original_cell_volume        854.8(3)
_cod_database_code               7704959
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1A La 0.0000 0.0000 0.2500 0.0171(3) Uani 0.818(5) 12 d S T P A 1
Mg1A Mg 0.0000 0.0000 0.0989(19) 0.011(3) Uani 0.182(5) 6 d S T P B 2
La2 La 0.3333 0.6667 0.2500 0.01093(17) Uani 1 12 d S T P B .
Mg1 Mg 0.3333 0.6667 0.5972(3) 0.0164(7) Uani 1 6 d S T P . .
Au1 Au 0.5000 0.0000 0.0000 0.01543(12) Uani 1 4 d S T P A .
Mg2 Mg 0.3683(3) 0.0318(2) 0.2500 0.0170(4) Uani 1 2 d S T P . .
Mg3 Mg 0.17208(13) 0.3442(3) 0.0219(2) 0.0165(4) Uani 1 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
_geom_angle_publ_flag
Mg2 La1A Mg2 171.05(7) 21 3 ?
Mg2 La1A Mg2 120.0 21 19 ?
Mg2 La1A Mg2 51.05(7) 3 19 ?
Mg2 La1A Mg2 120.0 21 20 ?
Mg2 La1A Mg2 68.95(7) 3 20 ?
Mg2 La1A Mg2 120.0 19 20 ?
Mg2 La1A Mg2 68.95(7) 21 2 ?
Mg2 La1A Mg2 120.0 3 2 ?
Mg2 La1A Mg2 171.05(7) 19 2 ?
Mg2 La1A Mg2 51.05(7) 20 2 ?
Mg2 La1A Mg2 51.05(7) 21 . ?
Mg2 La1A Mg2 120.0 3 . ?
Mg2 La1A Mg2 68.95(7) 19 . ?
Mg2 La1A Mg2 171.05(7) 20 . ?
Mg2 La1A Mg2 120.0 2 . ?
Mg2 La1A Mg3 49.05(3) 21 . ?
Mg2 La1A Mg3 135.84(3) 3 . ?
Mg2 La1A Mg3 135.84(3) 19 . ?
Mg2 La1A Mg3 86.45(3) 20 . ?
Mg2 La1A Mg3 49.05(3) 2 . ?
Mg2 La1A Mg3 86.45(3) . . ?
Mg2 La1A Mg3 49.05(3) 21 16_556 ?
Mg2 La1A Mg3 135.84(3) 3 16_556 ?
Mg2 La1A Mg3 135.84(3) 19 16_556 ?
Mg2 La1A Mg3 86.45(3) 20 16_556 ?
Mg2 La1A Mg3 49.05(3) 2 16_556 ?
Mg2 La1A Mg3 86.45(3) . 16_556 ?
Mg3 La1A Mg3 74.70(7) . 16_556 ?
Mg2 La1A Mg3 135.84(3) 21 2 ?
Mg2 La1A Mg3 49.05(3) 3 2 ?
Mg2 La1A Mg3 86.45(3) 19 2 ?
Mg2 La1A Mg3 49.05(3) 20 2 ?
Mg2 La1A Mg3 86.45(3) 2 2 ?
Mg2 La1A Mg3 135.84(3) . 2 ?
Mg3 La1A Mg3 87.02(5) . 2 ?
Mg3 La1A Mg3 133.16(2) 16_556 2 ?
Mg2 La1A Mg3 86.45(3) 21 18_556 ?
Mg2 La1A Mg3 86.45(3) 3 18_556 ?
Mg2 La1A Mg3 49.05(3) 19 18_556 ?
Mg2 La1A Mg3 135.84(3) 20 18_556 ?
Mg2 La1A Mg3 135.84(3) 2 18_556 ?
Mg2 La1A Mg3 49.05(3) . 18_556 ?
Mg3 La1A Mg3 133.16(2) . 18_556 ?
Mg3 La1A Mg3 87.02(5) 16_556 18_556 ?
Mg3 La1A Mg3 133.16(2) 2 18_556 ?
Mg2 La1A Mg3 86.45(3) 21 3 ?
Mg2 La1A Mg3 86.45(3) 3 3 ?
Mg2 La1A Mg3 49.05(3) 19 3 ?
Mg2 La1A Mg3 135.84(3) 20 3 ?
Mg2 La1A Mg3 135.84(3) 2 3 ?
Mg2 La1A Mg3 49.05(3) . 3 ?
Mg3 La1A Mg3 87.02(5) . 3 ?
Mg3 La1A Mg3 133.16(2) 16_556 3 ?
Mg3 La1A Mg3 87.02(5) 2 3 ?
Mg3 La1A Mg3 74.70(7) 18_556 3 ?
Mg2 La1A Mg3 135.84(3) 21 17_556 ?
Mg2 La1A Mg3 49.05(3) 3 17_556 ?
Mg2 La1A Mg3 86.45(3) 19 17_556 ?
Mg2 La1A Mg3 49.05(3) 20 17_556 ?
Mg2 La1A Mg3 86.45(3) 2 17_556 ?
Mg2 La1A Mg3 135.84(3) . 17_556 ?
Mg3 La1A Mg3 133.16(2) . 17_556 ?
Mg3 La1A Mg3 87.02(5) 16_556 17_556 ?
Mg3 La1A Mg3 74.70(7) 2 17_556 ?
Mg3 La1A Mg3 87.02(5) 18_556 17_556 ?
Mg3 La1A Mg3 133.16(2) 3 17_556 ?
Mg1A Mg1A Mg1A 180.0 13 16_556 ?
Mg1A Mg1A Mg3 75.6(3) 13 . ?
Mg1A Mg1A Mg3 104.4(3) 16_556 . ?
Mg1A Mg1A Mg3 75.6(3) 13 2 ?
Mg1A Mg1A Mg3 104.4(3) 16_556 2 ?
Mg3 Mg1A Mg3 114.0(3) . 2 ?
Mg1A Mg1A Mg3 75.6(3) 13 3 ?
Mg1A Mg1A Mg3 104.4(3) 16_556 3 ?
Mg3 Mg1A Mg3 114.0(3) . 3 ?
Mg3 Mg1A Mg3 114.0(3) 2 3 ?
Mg1A Mg1A Mg3 68.0(3) 13 13 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 13 ?
Mg3 Mg1A Mg3 143.6(7) . 13 ?
Mg3 Mg1A Mg3 57.15(12) 2 13 ?
Mg3 Mg1A Mg3 57.15(12) 3 13 ?
Mg1A Mg1A Mg3 68.0(3) 13 14 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 14 ?
Mg3 Mg1A Mg3 57.15(12) . 14 ?
Mg3 Mg1A Mg3 143.6(7) 2 14 ?
Mg3 Mg1A Mg3 57.15(12) 3 14 ?
Mg3 Mg1A Mg3 106.8(3) 13 14 ?
Mg1A Mg1A Mg3 68.0(3) 13 15 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 15 ?
Mg3 Mg1A Mg3 57.15(12) . 15 ?
Mg3 Mg1A Mg3 57.15(12) 2 15 ?
Mg3 Mg1A Mg3 143.6(7) 3 15 ?
Mg3 Mg1A Mg3 106.8(3) 13 15 ?
Mg3 Mg1A Mg3 106.8(3) 14 15 ?
Mg1 La2 Mg1 180.0 16_556 . ?
Mg1 La2 Mg2 90.0 16_556 19_565 ?
Mg1 La2 Mg2 90.0 . 19_565 ?
Mg1 La2 Mg2 90.0 16_556 1_565 ?
Mg1 La2 Mg2 90.0 . 1_565 ?
Mg2 La2 Mg2 69.96(8) 19_565 1_565 ?
Mg1 La2 Mg2 90.0 16_556 2 ?
Mg1 La2 Mg2 90.0 . 2 ?
Mg2 La2 Mg2 50.04(8) 19_565 2 ?
Mg2 La2 Mg2 120.0 1_565 2 ?
Mg1 La2 Mg2 90.0 16_556 20_665 ?
Mg1 La2 Mg2 90.0 . 20_665 ?
Mg2 La2 Mg2 120.0 19_565 20_665 ?
Mg2 La2 Mg2 50.04(8) 1_565 20_665 ?
Mg2 La2 Mg2 170.04(8) 2 20_665 ?
Mg1 La2 Mg2 90.0 16_556 21 ?
Mg1 La2 Mg2 90.0 . 21 ?
Mg2 La2 Mg2 120.0 19_565 21 ?
Mg2 La2 Mg2 170.04(8) 1_565 21 ?
Mg2 La2 Mg2 69.96(8) 2 21 ?
Mg2 La2 Mg2 120.0 20_665 21 ?
Mg1 La2 Mg2 90.0 16_556 3_665 ?
Mg1 La2 Mg2 90.0 . 3_665 ?
Mg2 La2 Mg2 170.04(8) 19_565 3_665 ?
Mg2 La2 Mg2 120.0 1_565 3_665 ?
Mg2 La2 Mg2 120.0 2 3_665 ?
Mg2 La2 Mg2 69.96(8) 20_665 3_665 ?
Mg2 La2 Mg2 50.04(8) 21 3_665 ?
Mg1 La2 Mg3 129.16(3) 16_556 18_566 ?
Mg1 La2 Mg3 50.84(3) . 18_566 ?
Mg2 La2 Mg3 50.56(3) 19_565 18_566 ?
Mg2 La2 Mg3 50.56(3) 1_565 18_566 ?
Mg2 La2 Mg3 86.14(3) 2 18_566 ?
Mg2 La2 Mg3 86.14(3) 20_665 18_566 ?
Mg2 La2 Mg3 134.64(3) 21 18_566 ?
Mg2 La2 Mg3 134.64(3) 3_665 18_566 ?
Mg1 La2 Mg3 50.84(3) 16_556 3_565 ?
Mg1 La2 Mg3 129.16(3) . 3_565 ?
Mg2 La2 Mg3 50.56(3) 19_565 3_565 ?
Mg2 La2 Mg3 50.56(3) 1_565 3_565 ?
Mg2 La2 Mg3 86.14(3) 2 3_565 ?
Mg2 La2 Mg3 86.14(3) 20_665 3_565 ?
Mg2 La2 Mg3 134.64(3) 21 3_565 ?
Mg2 La2 Mg3 134.64(3) 3_665 3_565 ?
Mg3 La2 Mg3 78.32(7) 18_566 3_565 ?
Mg1 La2 Mg3 129.16(3) 16_556 17_666 ?
Mg1 La2 Mg3 50.84(3) . 17_666 ?
Mg2 La2 Mg3 134.64(3) 19_565 17_666 ?
Mg2 La2 Mg3 86.14(3) 1_565 17_666 ?
Mg2 La2 Mg3 134.64(3) 2 17_666 ?
Mg2 La2 Mg3 50.56(3) 20_665 17_666 ?
Mg2 La2 Mg3 86.14(3) 21 17_666 ?
Mg2 La2 Mg3 50.56(3) 3_665 17_666 ?
Mg3 La2 Mg3 84.37(5) 18_566 17_666 ?
Mg3 La2 Mg3 134.38(2) 3_565 17_666 ?
Mg1 La2 Mg3 129.16(3) 16_556 16_556 ?
Mg1 La2 Mg3 50.84(3) . 16_556 ?
Mg2 La2 Mg3 86.14(3) 19_565 16_556 ?
Mg2 La2 Mg3 134.64(3) 1_565 16_556 ?
Mg2 La2 Mg3 50.56(3) 2 16_556 ?
Mg2 La2 Mg3 134.64(3) 20_665 16_556 ?
Mg2 La2 Mg3 50.56(3) 21 16_556 ?
Mg2 La2 Mg3 86.14(3) 3_665 16_556 ?
Mg3 La2 Mg3 84.37(5) 18_566 16_556 ?
Mg3 La2 Mg3 134.38(2) 3_565 16_556 ?
Mg3 La2 Mg3 84.37(5) 17_666 16_556 ?
Mg3 Mg1 Mg3 105.69(8) 18_566 16_556 ?
Mg3 Mg1 Mg3 105.69(8) 18_566 17_666 ?
Mg3 Mg1 Mg3 105.69(8) 16_556 17_666 ?
Mg3 Mg1 Au1 55.89(2) 18_566 5_565 ?
Mg3 Mg1 Au1 55.89(2) 16_556 5_565 ?
Mg3 Mg1 Au1 138.41(13) 17_666 5_565 ?
Mg3 Mg1 Au1 55.89(2) 18_566 4_665 ?
Mg3 Mg1 Au1 138.41(13) 16_556 4_665 ?
Mg3 Mg1 Au1 55.89(2) 17_666 4_665 ?
Au1 Mg1 Au1 110.37(6) 5_565 4_665 ?
Mg3 Mg1 Au1 138.41(13) 18_566 6 ?
Mg3 Mg1 Au1 55.89(2) 16_556 6 ?
Mg3 Mg1 Au1 55.89(2) 17_666 6 ?
Au1 Mg1 Au1 110.37(6) 5_565 6 ?
Au1 Mg1 Au1 110.37(6) 4_665 6 ?
Mg3 Mg1 Mg1 113.03(7) 18_566 16_557 ?
Mg3 Mg1 Mg1 113.03(7) 16_556 16_557 ?
Mg3 Mg1 Mg1 113.03(7) 17_666 16_557 ?
Au1 Mg1 Mg1 108.56(6) 5_565 16_557 ?
Au1 Mg1 Mg1 108.56(6) 4_665 16_557 ?
Au1 Mg1 Mg1 108.56(6) 6 16_557 ?
Mg3 Mg1 Mg2 58.02(5) 18_566 8_566 ?
Mg3 Mg1 Mg2 153.06(4) 16_556 8_566 ?
Mg3 Mg1 Mg2 99.77(4) 17_666 8_566 ?
Au1 Mg1 Mg2 98.73(4) 5_565 8_566 ?
Au1 Mg1 Mg2 53.73(3) 4_665 8_566 ?
Au1 Mg1 Mg2 150.72(5) 6 8_566 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 8_566 ?
Mg3 Mg1 Mg2 99.77(4) 18_566 13_666 ?
Mg3 Mg1 Mg2 153.06(4) 16_556 13_666 ?
Mg3 Mg1 Mg2 58.02(5) 17_666 13_666 ?
Au1 Mg1 Mg2 150.72(5) 5_565 13_666 ?
Au1 Mg1 Mg2 53.73(3) 4_665 13_666 ?
Au1 Mg1 Mg2 98.73(4) 6 13_666 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 13_666 ?
Mg2 Mg1 Mg2 52.04(7) 8_566 13_666 ?
Mg3 Mg1 Mg2 58.02(5) 18_566 14_566 ?
Mg3 Mg1 Mg2 99.77(4) 16_556 14_566 ?
Mg3 Mg1 Mg2 153.06(4) 17_666 14_566 ?
Au1 Mg1 Mg2 53.73(3) 5_565 14_566 ?
Au1 Mg1 Mg2 98.73(4) 4_665 14_566 ?
Au1 Mg1 Mg2 150.72(5) 6 14_566 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 14_566 ?
Mg2 Mg1 Mg2 53.85(7) 8_566 14_566 ?
Mg2 Mg1 Mg2 101.09(7) 13_666 14_566 ?
Mg3 Mg1 Mg2 99.77(4) 18_566 7_556 ?
Mg3 Mg1 Mg2 58.02(5) 16_556 7_556 ?
Mg3 Mg1 Mg2 153.06(4) 17_666 7_556 ?
Au1 Mg1 Mg2 53.73(3) 5_565 7_556 ?
Au1 Mg1 Mg2 150.72(5) 4_665 7_556 ?
Au1 Mg1 Mg2 98.73(4) 6 7_556 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 7_556 ?
Mg2 Mg1 Mg2 101.09(7) 8_566 7_556 ?
Mg2 Mg1 Mg2 126.13(11) 13_666 7_556 ?
Mg2 Mg1 Mg2 52.04(7) 14_566 7_556 ?
Mg3 Mg1 Mg2 153.06(4) 18_566 9_666 ?
Mg3 Mg1 Mg2 99.77(4) 16_556 9_666 ?
Mg3 Mg1 Mg2 58.02(5) 17_666 9_666 ?
Au1 Mg1 Mg2 150.72(5) 5_565 9_666 ?
Au1 Mg1 Mg2 98.73(4) 4_665 9_666 ?
Au1 Mg1 Mg2 53.73(3) 6 9_666 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 9_666 ?
Mg2 Mg1 Mg2 101.09(7) 8_566 9_666 ?
Mg2 Mg1 Mg2 53.85(7) 13_666 9_666 ?
Mg2 Mg1 Mg2 126.13(11) 14_566 9_666 ?
Mg2 Mg1 Mg2 101.09(7) 7_556 9_666 ?
Mg3 Au1 Mg3 180.0 15_655 3 ?
Mg3 Au1 Mg3 116.18(8) 15_655 14 ?
Mg3 Au1 Mg3 63.82(8) 3 14 ?
Mg3 Au1 Mg3 63.82(8) 15_655 2_655 ?
Mg3 Au1 Mg3 116.18(8) 3 2_655 ?
Mg3 Au1 Mg3 180.0 14 2_655 ?
Mg3 Au1 Mg2 116.52(6) 15_655 . ?
Mg3 Au1 Mg2 63.48(6) 3 . ?
Mg3 Au1 Mg2 65.52(6) 14 . ?
Mg3 Au1 Mg2 114.48(6) 2_655 . ?
Mg3 Au1 Mg2 65.51(6) 15_655 20_655 ?
Mg3 Au1 Mg2 114.49(6) 3 20_655 ?
Mg3 Au1 Mg2 116.52(6) 14 20_655 ?
Mg3 Au1 Mg2 63.48(6) 2_655 20_655 ?
Mg2 Au1 Mg2 60.95(8) . 20_655 ?
Mg3 Au1 Mg2 114.49(6) 15_655 8 ?
Mg3 Au1 Mg2 65.51(6) 3 8 ?
Mg3 Au1 Mg2 63.48(6) 14 8 ?
Mg3 Au1 Mg2 116.52(6) 2_655 8 ?
Mg2 Au1 Mg2 119.05(8) . 8 ?
Mg2 Au1 Mg2 180.0 20_655 8 ?
Mg3 Au1 Mg2 63.48(6) 15_655 13_655 ?
Mg3 Au1 Mg2 116.52(6) 3 13_655 ?
Mg3 Au1 Mg2 114.49(6) 14 13_655 ?
Mg3 Au1 Mg2 65.51(6) 2_655 13_655 ?
Mg2 Au1 Mg2 180.0 . 13_655 ?
Mg2 Au1 Mg2 119.05(8) 20_655 13_655 ?
Mg2 Au1 Mg2 60.95(8) 8 13_655 ?
Mg3 Au1 Mg1 118.13(4) 15_655 16_546 ?
Mg3 Au1 Mg1 61.87(4) 3 16_546 ?
Mg3 Au1 Mg1 118.13(4) 14 16_546 ?
Mg3 Au1 Mg1 61.87(4) 2_655 16_546 ?
Mg2 Au1 Mg1 111.25(7) . 16_546 ?
Mg2 Au1 Mg1 111.25(7) 20_655 16_546 ?
Mg2 Au1 Mg1 68.75(7) 8 16_546 ?
Mg2 Au1 Mg1 68.75(7) 13_655 16_546 ?
Mg3 Au1 Mg1 61.87(4) 15_655 4_664 ?
Mg3 Au1 Mg1 118.13(4) 3 4_664 ?
Mg3 Au1 Mg1 61.87(4) 14 4_664 ?
Mg3 Au1 Mg1 118.13(4) 2_655 4_664 ?
Mg2 Au1 Mg1 68.75(7) . 4_664 ?
Mg2 Au1 Mg1 68.75(7) 20_655 4_664 ?
Mg2 Au1 Mg1 111.25(7) 8 4_664 ?
Mg2 Au1 Mg1 111.25(7) 13_655 4_664 ?
Mg1 Au1 Mg1 180.00(12) 16_546 4_664 ?
Mg3 Au1 La2 63.52(4) 15_655 13_665 ?
Mg3 Au1 La2 116.48(4) 3 13_665 ?
Mg3 Au1 La2 63.52(4) 14 13_665 ?
Mg3 Au1 La2 116.48(4) 2_655 13_665 ?
Mg2 Au1 La2 119.22(4) . 13_665 ?
Mg2 Au1 La2 119.22(4) 20_655 13_665 ?
Mg2 Au1 La2 60.78(4) 8 13_665 ?
Mg2 Au1 La2 60.78(4) 13_655 13_665 ?
Mg1 Au1 La2 120.63(6) 16_546 13_665 ?
Mg1 Au1 La2 59.37(6) 4_664 13_665 ?
Mg3 Au1 La2 116.48(4) 15_655 1_545 ?
Mg3 Au1 La2 63.52(4) 3 1_545 ?
Mg3 Au1 La2 116.48(4) 14 1_545 ?
Mg3 Au1 La2 63.52(4) 2_655 1_545 ?
Mg2 Au1 La2 60.78(4) . 1_545 ?
Mg2 Au1 La2 60.78(4) 20_655 1_545 ?
Mg2 Au1 La2 119.22(4) 8 1_545 ?
Mg2 Au1 La2 119.22(4) 13_655 1_545 ?
Mg1 Au1 La2 59.37(6) 16_546 1_545 ?
Mg1 Au1 La2 120.63(6) 4_664 1_545 ?
La2 Au1 La2 180.0 13_665 1_545 ?
Au1 Mg2 Au1 117.88(7) 4_655 . ?
Au1 Mg2 Mg2 59.53(4) 4_655 20_655 ?
Au1 Mg2 Mg2 59.53(4) . 20_655 ?
Au1 Mg2 Mg3 138.21(8) 4_655 3 ?
Au1 Mg2 Mg3 57.29(4) . 3 ?
Mg2 Mg2 Mg3 108.13(6) 20_655 3 ?
Au1 Mg2 Mg3 57.29(4) 4_655 18_556 ?
Au1 Mg2 Mg3 138.21(8) . 18_556 ?
Mg2 Mg2 Mg3 108.13(6) 20_655 18_556 ?
Mg3 Mg2 Mg3 97.30(9) 3 18_556 ?
Au1 Mg2 Mg2 109.61(4) 4_655 21 ?
Au1 Mg2 Mg2 109.61(4) . 21 ?
Mg2 Mg2 Mg2 120.0 20_655 21 ?
Mg3 Mg2 Mg2 110.43(6) 3 21 ?
Mg3 Mg2 Mg2 110.43(6) 18_556 21 ?
Au1 Mg2 Mg3 56.31(3) 4_655 5 ?
Au1 Mg2 Mg3 159.31(10) . 5 ?
Mg2 Mg2 Mg3 107.61(6) 20_655 5 ?
Mg3 Mg2 Mg3 141.81(11) 3 5 ?
Mg3 Mg2 Mg3 58.67(5) 18_556 5 ?
Mg2 Mg2 Mg3 60.74(4) 21 5 ?
Au1 Mg2 Mg3 159.31(10) 4_655 14 ?
Au1 Mg2 Mg3 56.31(3) . 14 ?
Mg2 Mg2 Mg3 107.61(6) 20_655 14 ?
Mg3 Mg2 Mg3 58.67(5) 3 14 ?
Mg3 Mg2 Mg3 141.81(11) 18_556 14 ?
Mg2 Mg2 Mg3 60.74(4) 21 14 ?
Mg3 Mg2 Mg3 120.88(8) 5 14 ?
Au1 Mg2 Mg1 57.52(5) 4_655 13_666 ?
Au1 Mg2 Mg1 103.83(8) . 13_666 ?
Mg2 Mg2 Mg1 63.98(4) 20_655 13_666 ?
Mg3 Mg2 Mg1 158.26(8) 3 13_666 ?
Mg3 Mg2 Mg1 104.41(6) 18_556 13_666 ?
Mg2 Mg2 Mg1 63.07(4) 21 13_666 ?
Mg3 Mg2 Mg1 55.69(6) 5 13_666 ?
Mg3 Mg2 Mg1 102.96(8) 14 13_666 ?
Au1 Mg2 Mg1 103.83(8) 4_655 4_664 ?
Au1 Mg2 Mg1 57.52(5) . 4_664 ?
Mg2 Mg2 Mg1 63.98(4) 20_655 4_664 ?
Mg3 Mg2 Mg1 104.41(6) 3 4_664 ?
Mg3 Mg2 Mg1 158.26(8) 18_556 4_664 ?
Mg2 Mg2 Mg1 63.07(4) 21 4_664 ?
Mg3 Mg2 Mg1 102.96(8) 5 4_664 ?
Mg3 Mg2 Mg1 55.69(6) 14 4_664 ?
Mg1 Mg2 Mg1 53.86(11) 13_666 4_664 ?
Au1 Mg2 La2 72.52(4) 4_655 1_545 ?
Au1 Mg2 La2 72.52(4) . 1_545 ?
Mg2 Mg2 La2 64.98(4) 20_655 1_545 ?
Mg3 Mg2 La2 66.64(6) 3 1_545 ?
Mg3 Mg2 La2 66.64(6) 18_556 1_545 ?
Mg2 Mg2 La2 175.02(4) 21 1_545 ?
Mg3 Mg2 La2 118.76(4) 5 1_545 ?
Mg3 Mg2 La2 118.76(4) 14 1_545 ?
Mg1 Mg2 La2 121.19(6) 13_666 1_545 ?
Mg1 Mg2 La2 121.19(6) 4_664 1_545 ?
Au1 Mg2 La1A 119.88(4) 4_655 . ?
Au1 Mg2 La1A 119.88(4) . . ?
Mg2 Mg2 La1A 175.53(3) 20_655 . ?
Mg3 Mg2 La1A 69.16(6) 3 . ?
Mg3 Mg2 La1A 69.16(6) 18_556 . ?
Mg2 Mg2 La1A 64.47(3) 21 . ?
Mg3 Mg2 La1A 74.26(6) 5 . ?
Mg3 Mg2 La1A 74.26(6) 14 . ?
Mg1 Mg2 La1A 119.86(5) 13_666 . ?
Mg1 Mg2 La1A 119.86(5) 4_664 . ?
La2 Mg2 La1A 110.55(6) 1_545 . ?
Au1 Mg3 Au1 122.65(8) 3_665 2 ?
Au1 Mg3 Mg3 167.17(13) 3_665 15 ?
Au1 Mg3 Mg3 58.09(4) 2 15 ?
Au1 Mg3 Mg3 58.09(4) 3_665 14 ?
Au1 Mg3 Mg3 167.17(13) 2 14 ?
Mg3 Mg3 Mg3 117.94(4) 15 14 ?
Au1 Mg3 Mg2 59.24(4) 3_665 21 ?
Au1 Mg3 Mg2 130.33(9) 2 21 ?
Mg3 Mg3 Mg2 131.59(10) 15 21 ?
Mg3 Mg3 Mg2 62.10(7) 14 21 ?
Au1 Mg3 Mg2 130.33(9) 3_665 2 ?
Au1 Mg3 Mg2 59.24(4) 2 2 ?
Mg3 Mg3 Mg2 62.10(7) 15 2 ?
Mg3 Mg3 Mg2 131.59(10) 14 2 ?
Mg2 Mg3 Mg2 82.65(9) 21 2 ?
Au1 Mg3 Mg1 62.23(4) 3_665 16_556 ?
Au1 Mg3 Mg1 62.23(4) 2 16_556 ?
Mg3 Mg3 Mg1 113.49(6) 15 16_556 ?
Mg3 Mg3 Mg1 113.49(6) 14 16_556 ?
Mg2 Mg3 Mg1 108.29(8) 21 16_556 ?
Mg2 Mg3 Mg1 108.29(8) 2 16_556 ?
Au1 Mg3 Mg1A 118.54(4) 3_665 . ?
Au1 Mg3 Mg1A 118.54(4) 2 . ?
Mg3 Mg3 Mg1A 63.71(10) 15 . ?
Mg3 Mg3 Mg1A 63.71(10) 14 . ?
Mg2 Mg3 Mg1A 78.0(3) 21 . ?
Mg2 Mg3 Mg1A 78.0(3) 2 . ?
Mg1 Mg3 Mg1A 171.4(3) 16_556 . ?
Au1 Mg3 Mg2 109.29(7) 3_665 7 ?
Au1 Mg3 Mg2 58.18(4) 2 7 ?
Mg3 Mg3 Mg2 59.23(8) 15 7 ?
Mg3 Mg3 Mg2 109.02(11) 14 7 ?
Mg2 Mg3 Mg2 167.73(8) 21 7 ?
Mg2 Mg3 Mg2 109.37(4) 2 7 ?
Mg1 Mg3 Mg2 66.29(8) 16_556 7 ?
Mg1A Mg3 Mg2 106.4(3) . 7 ?
Au1 Mg3 Mg2 58.18(4) 3_665 15 ?
Au1 Mg3 Mg2 109.29(7) 2 15 ?
Mg3 Mg3 Mg2 109.02(11) 15 15 ?
Mg3 Mg3 Mg2 59.23(8) 14 15 ?
Mg2 Mg3 Mg2 109.37(4) 21 15 ?
Mg2 Mg3 Mg2 167.73(8) 2 15 ?
Mg1 Mg3 Mg2 66.29(8) 16_556 15 ?
Mg1A Mg3 Mg2 106.4(3) . 15 ?
Mg2 Mg3 Mg2 58.52(8) 7 15 ?
Au1 Mg3 Mg1A 114.23(10) 3_665 13 ?
Au1 Mg3 Mg1A 114.23(10) 2 13 ?
Mg3 Mg3 Mg1A 59.14(3) 15 13 ?
Mg3 Mg3 Mg1A 59.14(3) 14 13 ?
Mg2 Mg3 Mg1A 105.1(2) 21 13 ?
Mg2 Mg3 Mg1A 105.1(2) 2 13 ?
Mg1 Mg3 Mg1A 135.0(3) 16_556 13 ?
Mg1A Mg3 Mg1A 36.5(7) . 13 ?
Mg2 Mg3 Mg1A 74.7(3) 7 13 ?
Mg2 Mg3 Mg1A 74.7(3) 15 13 ?
Au1 Mg3 La2 71.40(5) 3_665 . ?
Au1 Mg3 La2 71.40(5) 2 . ?
Mg3 Mg3 La2 118.37(6) 15 . ?
Mg3 Mg3 La2 118.37(6) 14 . ?
Mg2 Mg3 La2 62.80(6) 21 . ?
Mg2 Mg3 La2 62.80(6) 2 . ?
Mg1 Mg3 La2 62.19(7) 16_556 . ?
Mg1A Mg3 La2 126.4(3) . . ?
Mg2 Mg3 La2 119.81(7) 7 . ?
Mg2 Mg3 La2 119.81(7) 15 . ?
Mg1A Mg3 La2 162.8(3) 13 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1A Mg2 3.523(2) 21 ?
La1A Mg2 3.523(2) 3 ?
La1A Mg2 3.523(2) 19 ?
La1A Mg2 3.523(2) 20 ?
La1A Mg2 3.523(2) 2 ?
La1A Mg2 3.523(2) . ?
La1A Mg3 3.737(2) . ?
La1A Mg3 3.737(2) 16_556 ?
La1A Mg3 3.737(2) 2 ?
La1A Mg3 3.737(2) 18_556 ?
La1A Mg3 3.737(2) 3 ?
La1A Mg3 3.737(2) 17_556 ?
Mg1A Mg1A 1.97(4) 13 ?
Mg1A Mg1A 3.00(4) 16_556 ?
Mg1A Mg3 3.067(5) . ?
Mg1A Mg3 3.067(5) 2 ?
Mg1A Mg3 3.067(5) 3 ?
Mg1A Mg3 3.204(8) 13 ?
Mg1A Mg3 3.204(8) 14 ?
Mg1A Mg3 3.204(8) 15 ?
La2 Mg1 3.450(3) 16_556 ?
La2 Mg1 3.450(3) . ?
La2 Mg2 3.478(2) 19_565 ?
La2 Mg2 3.478(2) 1_565 ?
La2 Mg2 3.478(2) 2 ?
La2 Mg2 3.478(2) 20_665 ?
La2 Mg2 3.478(2) 21 ?
La2 Mg2 3.478(2) 3_665 ?
La2 Mg3 3.590(2) 18_566 ?
La2 Mg3 3.590(2) 3_565 ?
La2 Mg3 3.590(2) 17_666 ?
La2 Mg3 3.590(2) 16_556 ?
Mg1 Mg3 3.025(3) 18_566 ?
Mg1 Mg3 3.025(3) 16_556 ?
Mg1 Mg3 3.025(3) 17_666 ?
Mg1 Au1 3.0348(11) 5_565 ?
Mg1 Au1 3.0348(11) 4_665 ?
Mg1 Au1 3.0348(11) 6 ?
Mg1 Mg1 3.037(7) 16_557 ?
Mg1 Mg2 3.353(3) 8_566 ?
Mg1 Mg2 3.353(3) 13_666 ?
Mg1 Mg2 3.353(3) 14_566 ?
Mg1 Mg2 3.353(3) 7_556 ?
Mg1 Mg2 3.353(3) 9_666 ?
Au1 Mg3 2.8398(11) 15_655 ?
Au1 Mg3 2.8398(11) 3 ?
Au1 Mg3 2.8398(11) 14 ?
Au1 Mg3 2.8398(11) 2_655 ?
Au1 Mg2 2.9002(12) . ?
Au1 Mg2 2.9002(12) 20_655 ?
Au1 Mg2 2.9002(12) 8 ?
Au1 Mg2 2.9002(12) 13_655 ?
Au1 Mg1 3.0348(11) 16_546 ?
Au1 Mg1 3.0348(11) 4_664 ?
Au1 La2 3.8013(4) 13_665 ?
Au1 La2 3.8013(4) 1_545 ?
Mg2 Au1 2.9002(12) 4_655 ?
Mg2 Mg2 2.942(4) 20_655 ?
Mg2 Mg3 3.020(2) 3 ?
Mg2 Mg3 3.020(2) 18_556 ?
Mg2 Mg2 3.036(4) 21 ?
Mg2 Mg3 3.106(2) 5 ?
Mg2 Mg3 3.106(2) 14 ?
Mg2 Mg1 3.353(3) 13_666 ?
Mg2 Mg1 3.353(3) 4_664 ?
Mg2 La2 3.478(2) 1_545 ?
Mg3 Au1 2.8398(11) 3_665 ?
Mg3 Au1 2.8398(11) 2 ?
Mg3 Mg3 3.002(2) 15 ?
Mg3 Mg3 3.002(2) 14 ?
Mg3 Mg2 3.020(2) 21 ?
Mg3 Mg2 3.020(2) 2 ?
Mg3 Mg1 3.025(3) 16_556 ?
Mg3 Mg2 3.106(2) 7 ?
Mg3 Mg2 3.106(2) 15 ?
Mg3 Mg1A 3.204(8) 13 ?
