Solid state interactions in the La-Au-Mg system: phase equilibria, novel compounds and chemical bonding.
Freccero, R.; De Negri, S.; Saccone, A.; Solokha, P.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12056–12067; doi:10.1039/d0dt02359k

data_7704962
_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_sum            'Au3.25 La3 Mg12.75'
_chemical_formula_weight         1366.82
_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
;
2020-03-25 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                120
_cell_formula_units_Z            2
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.223
_cell_measurement_theta_min      2.398
_cell_volume                     868.59(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -14
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_diffrn    5.226
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_F_000             1162
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
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_refine_ls_extinction_coef       0.00075(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0165
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_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+1.9793P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0431
_refine_ls_wR_factor_ref         0.0444
_reflns_Friedel_coverage         0.000
_reflns_number_gt                483
_reflns_number_total             529
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02359k2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7704959--7704962.cif.'
_cod_original_cell_volume        868.59(8)
_cod_database_code               7704962
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              44699