Crystal structure of tripotassium monosodium ditungstate, K~3~Na[WO~4~]~2~
Arumugam, N.; Sofin, M.; Jansen, M.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 531–532; doi:

data_8102929
_publ_section_title
;
Crystal structure of tripotassium monosodium ditungstate, K~3~Na[WO~4~]~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              531
_journal_page_last               532
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'K3 Na O8 W2'
_chemical_formula_weight         636
_chemical_name_systematic        '  tripotassium monosodium ditungstate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.087(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4928(1)
_cell_length_b                   6.0693(1)
_cell_length_c                   15.2921(1)
_cell_measurement_reflns_used    14540
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      2.66
_cell_volume                     973.86(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2000)'
_computing_structure_refinement  'Jana2000; Petricek and Dusek,2000'
_computing_structure_solution    'JANA2000; Petricek and Dusek,2000'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7688
_diffrn_reflns_theta_max         26.96
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    24.615
_exptl_absorpt_correction_T_max  0.3028
_exptl_absorpt_correction_T_min  0.1343
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.2792
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_ls_goodness_of_fit_gt    10.27
_refine_ls_goodness_of_fit_ref   9.68
_refine_ls_number_parameters     68
_refine_ls_number_reflns         4027
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                3583
_reflns_number_total             4027
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            409860.cff
_cod_data_source_block           K1.5Na0.5WO4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        986.83
_cod_original_sg_symbol_H-M      C12/c1
_cod_original_formula_sum        'K3 Na1 O8 W2'
_cod_database_code               8102929