Na~3~Mn~4~Te~2~O~12~
Feger, Christopher R.; Kolis, Joseph W.; Acta Crystallographica Section C 54 (1998) 1055–1057; doi:10.1107/S0108270197020076

data_2007505
_publ_section_title
;
 Na~3~Mn~4~Te~2~O~12~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1055
_journal_page_last               1057
_journal_paper_doi               10.1107/S0108270197020076
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'Na3 Mn4 Te2 O12'
_chemical_formula_sum            'Mn4 Na3 O12 Te2'
_chemical_formula_weight         735.91
_chemical_name_common            'Sodium managanese tellurate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           'Cromer & Waber (1974)'
_audit_creation_method           'manual editing of form.cif'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.384(2)
_cell_length_b                   9.182(2)
_cell_length_c                   10.997(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.96
_cell_measurement_theta_min      13.25
_cell_volume                     947.5(4)
_computing_cell_refinement       'MSC/AFC diffractometer system'
_computing_data_collection       'MSC/AFC diffractometer system'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_molecular_graphics    SHELXTL-Plus
_computing_structure_refinement  'SHELXTL-Plus (Sheldrick, 1990)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Rigaku AFC-7R diffractometer'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2422
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        1.11
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.455
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.32
_exptl_absorpt_correction_type
;
empirical via \y scans (North et al., 1968)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    5.158
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             1332.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.35
_refine_diff_density_min         -2.96
_refine_ls_extinction_coef       0.000050(10)
_refine_ls_extinction_method
;
Larson (1970)
;
_refine_ls_goodness_of_fit_obs   2.64
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     107
_refine_ls_number_reflns         884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.068
_refine_ls_R_factor_obs          .048
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.002F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.050
_refine_ls_wR_factor_obs         .049
_reflns_number_observed          884
_reflns_number_total             1157
_reflns_observed_criterion       F>2\s(F)
_cod_data_source_file            br1203.cif
_cod_data_source_block           bd0786jwkcrfnamnteo
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.002F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.002F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        947.5(7)
_cod_original_sg_symbol_H-M      'P n m a    '
_cod_original_formula_sum        'Na3 Mn4 Te2 O12'
_cod_database_code               2007505