Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.
Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Dalton transactions (Cambridge, England : 2003) 42 (2013) 7158–7166; doi:10.1039/c3dt50415h

data_7022961
_publ_section_title
;
 Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and
 Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7158
_journal_page_last               7166
_journal_paper_doi               10.1039/c3dt50415h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'F1 H1 Mn2 O4 S1'
_chemical_formula_sum            'F H Mn2 O4 S'
_chemical_formula_weight         225.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.413(4)
_cell_length_b                   10.139(5)
_cell_length_c                   5.717(3)
_cell_measurement_reflns_used    1083
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      4.02
_cell_volume                     429.7(4)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.9
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       Multi-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_av_sigmaI/netI    0.1023
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            1083
_diffrn_reflns_theta_full        22.19
_diffrn_reflns_theta_max         27.8
_diffrn_reflns_theta_min         4.02
_exptl_absorpt_coefficient_mu    6.287
_exptl_absorpt_correction_T_max  0.9378
_exptl_absorpt_correction_T_min  0.8737
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.4914
_exptl_crystal_description       needle
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.16
_refine_diff_density_min         -1.40
_refine_ls_extinction_coef       4900(1000)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.10
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    1
_refine_ls_number_parameters     44
_refine_ls_number_reflns         477
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0009I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                234
_reflns_number_total             477
_reflns_threshold_expression     I>4\s(I)
_cod_data_source_file            c3dt50415h_2.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2ac 2n '
_cod_original_formula_sum        'F1 H1 Mn2 O4 S1'
_cod_database_code               7022961