Surfactant-thermal method to prepare two novel two-dimensional Mn‒Sb‒S compounds for photocatalytic applications
Nie, Lina; Xiong, Wei-Wei; Li, Peizhou; Han, Jianyu; Zhang, Guodong; Yin, Shengming; Zhao, Yanli; Xu, Rong; Zhang, Qichun; Journal of Solid State Chemistry 220 (2014) 118–123; doi:10.1016/j.jssc.2014.08.018

data_1562203
_publ_section_title
;
 Surfactant-thermal method to prepare two novel two-dimensional Mn--Sb--S
 compounds for photocatalytic applications
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              118
_journal_page_last               123
_journal_paper_doi               10.1016/j.jssc.2014.08.018
_journal_volume                  220
_journal_year                    2014
_chemical_formula_sum            'C0 H0 Mn0.5 N0 S5 Sb3'
_chemical_formula_weight         553.0190
_chemical_name_common            '[Mn(tepa)Sb6S10]'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.455(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.5792(9)
_cell_length_b                   15.3226(5)
_cell_length_c                   10.7599(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3024.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7063
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    6.356
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          5
_exptl_crystal_size_mid          3
_exptl_crystal_size_min          2
_refine_diff_density_max         4.632
_refine_diff_density_min         -3.266
_refine_diff_density_rms         0.399
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         3255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0823P)^2^+283.5443P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1743
_refine_ls_wR_factor_ref         0.1874
_reflns_number_gt                2695
_reflns_number_total             3255
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-220-118.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C2/c '
_cod_original_formula_sum        'C0 H0 Mn0.50 N0 S5 Sb3'
_cod_database_code               1562203