Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution.
Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio; Inorganic chemistry 56 (2017) 2459–2466; doi:10.1021/acs.inorgchem.6b02505

data_4345215
_publ_section_title
;
 Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic
 Interactions Enhanced by Anion Substitution.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2459
_journal_page_last               2466
_journal_paper_doi               10.1021/acs.inorgchem.6b02505
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'Ge2 Mn O S6 Sr2'
_chemical_formula_weight         583.847
_chemical_name_common            Sr2MnGe2S6O
_chemical_name_systematic        ' ?'
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5206(2)
_cell_length_b                   9.5206(2)
_cell_length_c                   6.2002(1)
_cell_measurement_temperature    293
_cell_volume                     561.997(19)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Rigaku MultiFlex'
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    3.4502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             538.00
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0200
_pd_meas_2theta_range_max        120.0000
_pd_meas_2theta_range_min        10.0000
_pd_meas_number_of_points        5501
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0200
_pd_proc_2theta_range_max        120.0000
_pd_proc_2theta_range_min        10.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.08134
_pd_proc_ls_prof_wR_expected     0.05495
_pd_proc_ls_prof_wR_factor       0.11116
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.0231
_refine_ls_matrix_type           full
_refine_ls_number_constraints    5
_refine_ls_number_parameters     45
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.03622
_refine_ls_R_Fsqd_factor         0.03662
_refine_ls_R_I_factor            0.04127
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic6b02505_si_002.cif
_cod_data_source_block           Sr2MnGe2S6O
_cod_depositor_comments
'Adding full bibliography for 4345215--4345216.cif.'
_cod_original_cell_volume        561.99(2)
_cod_database_code               4345215