'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.; Chemistry of Materials 34 (2022) 1829–1837; doi:10.1021/acs.chemmater.1c04105

data_4004086
_publ_section_title
;
 'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
;
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1829
_journal_page_last               1837
_journal_paper_doi               10.1021/acs.chemmater.1c04105
_journal_volume                  34
_journal_year                    2022
_chemical_formula_moiety         'Gd10 S19'
_chemical_formula_structural     Gd10S19
_chemical_formula_sum            'Gd10 S19'
_chemical_formula_weight         2181.754
_space_group_IT_number           86
_space_group_name_Hall           '-P 4bc'
_space_group_name_H-M_alt        'P 42/n :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   8.7147(2)
_cell_length_b                   8.7147(2)
_cell_length_c                   15.8569(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1204.27(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(3)
_diffrn_detector                 'see experimental section'
_diffrn_detector_area_resol_mean 'see experimental section'
_diffrn_detector_type            'see experimental section'
_diffrn_measurement_device_type  'see experimental section'
_diffrn_measurement_method       'see experimental section'
_diffrn_radiation_monochromator  'see experimental section'
_diffrn_radiation_type           X-ray
_diffrn_source                   'Laboratory diffractometer'
_diffrn_source_target            Cu
_pd_meas_2theta_range_inc        0.019654
_pd_meas_2theta_range_max        79.94070
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        3814
_pd_proc_2theta_range_inc        0.019654
_pd_proc_2theta_range_max        79.7894
_pd_proc_2theta_range_min        4.8487
_pd_proc_ls_prof_R_factor        5.0951
_pd_proc_ls_prof_wR_expected     5.7150
_pd_proc_ls_prof_wR_factor       6.4893
_pd_proc_wavelength              1.540560
_refine_ls_number_parameters     4
_refine_ls_number_reflns         424
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            10.0431
_cod_data_source_file            Gd10S19.cif
_cod_data_source_block           Gd10S19
_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 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        1204.28(5)
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               4004086
_pd_proc_ls_prof_cr_factor       44.3599
_pd_proc_ls_prof_cwr_factor      25.5651
_pd_proc_ls_prof_cwr_expected    22.5148
_pd_proc_ls_prof_chi2            1.2893
_pd_proc_ls_prof_echi2           1.3080