RbMn~6~(As~2~O~7~)~2~(As~3~O~10~): a new manganese(II) arsenate
Ayed,Brahim; Haj Abbdallah,Anissa; Hadded,Amor; Acta Crystallographica, Section E 60 (2004) i52–i54; doi:10.1107/S1600536804004544

data_2203370
_publ_section_title
;
RbMn~6~(As~2~O~7~)~2~(As~3~O~10~): a new manganese(II) arsenate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i52
_journal_page_last               i54
_journal_paper_doi               10.1107/S1600536804004544
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     'Rb Mn6 (As2 O7)2 (As3 O10)'
_chemical_formula_sum            'As7 Mn6 O24 Rb'
_chemical_formula_weight         1323.53
_chemical_name_common            RbMn~6~(As~2~O~7~)~2~(As~3~O~10~)
_chemical_name_systematic
;
Rubidium manganese arsenate(1;6;7)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.56(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5550(10)
_cell_length_b                   27.830(9)
_cell_length_c                   6.842(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.97
_cell_measurement_theta_min      1.46
_cell_volume                     1008.5(5)
_computing_cell_refinement       'CAD-4 Express'
_computing_data_collection
'CAD-4 Express (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992) '
_computing_data_reduction        'Molen (Fair, 1990)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_database_code_amcsd             0010427
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enarf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0789
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2461
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    17.559
_exptl_absorpt_correction_T_max  0.495
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.576
_refine_diff_density_min         -1.467
_refine_ls_extinction_coef       0.0007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0371
_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^)+(0.0524P)^2^+3.8056P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0949
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                1726
_reflns_number_total             2240
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6138.cif
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               2203370
_amcsd_formula_title             RbMn6(As2O7)2(As3O10)