From endohedral cluster superconductors to approximant phases: synthesis, crystal and electronic structure, and physical properties of Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.
Verchenko, Valeriy Yu; Zubtsovskii, Alexander O.; Wei, Zheng; Tsirlin, Alexander A.; Dikarev, Evgeny V.; Shevelkov, Andrei V.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7853–7861; doi:10.1039/c8dt04982c

data_7701582
_publ_section_title
;
 From endohedral cluster superconductors to approximant phases: synthesis,
 crystal and electronic structure, and physical properties of
 Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and
 Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7853
_journal_page_last               7861
_journal_paper_doi               10.1039/c8dt04982c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'Ga41 Mo8'
_chemical_formula_weight         3626
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_block_doi                 10.25505/fiz.icsd.cc219cyp
_audit_creation_method           'Jana2006 Version : 25/10/2015'
_audit_update_record
;
2018-12-18 deposited with the CCDC.	2019-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.01884(7)
_cell_length_b                   14.01884(7)
_cell_length_c                   15.05418(9)
_cell_measurement_temperature    300
_cell_volume                     2562.19(2)
_diffrn_ambient_temperature      300
_diffrn_detector_type            'Image Plate'
_diffrn_measurement_device       'Huber G670'
_diffrn_measurement_device_type  'Guinier Camera'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   'sealed tube'
_diffrn_source_target            Cu
_diffrn_source_type              X-ray
_exptl_absorpt_coefficient_mu    57.99
_exptl_crystal_density_diffrn    7.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_F_000             4821
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        100.300
_pd_meas_2theta_range_min        3.000
_pd_meas_number_of_points        19461
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        100.3
_pd_proc_2theta_range_min        7.005
_pd_proc_ls_background_function  '15 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Lorentzian
_pd_proc_ls_prof_R_factor        0.0312
_pd_proc_ls_prof_wR_expected     0.0240
_pd_proc_ls_prof_wR_factor       0.0410
_refine_diff_density_max         1.02
_refine_diff_density_min         -0.91
_refine_ls_goodness_of_fit_all   1.71
_refine_ls_number_constraints    1
_refine_ls_number_parameters     55
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.0139
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0372
_refine_ls_wR_factor_gt          0.0372
_cod_data_source_file            c8dt04982c1.cif
_cod_data_source_block           Mo8Ga41-xZnx
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7701582