A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~
Yongkui Shan; Songping D. Huang; Acta Crystallographica Section C 55 (1999) 1048–1050; doi:10.1107/S0108270198017995

data_2008659
_publ_section_title
;
 A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1048
_journal_page_last               1050
_journal_paper_doi               10.1107/S0108270198017995
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'K Na (V O3)2'
_chemical_formula_moiety         'K Na (V O3)2'
_chemical_formula_sum            'K Na O6 V2'
_chemical_formula_weight         259.97
_symmetry_cell_setting           monoclinic
_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                 103.894(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5810(10)
_cell_length_b                   10.0890(10)
_cell_length_c                   5.8151(8)
_cell_measurement_reflns_used    1277
_cell_measurement_temperature    296
_cell_measurement_theta_max      26.95
_cell_measurement_theta_min      2.83
_cell_volume                     602.61(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1997)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Quantum CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_av_sigmaI/netI    0.060
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         26.95
_diffrn_reflns_theta_min         2.83
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.823
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   'simulated \y scans (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.34
_refine_ls_extinction_coef       1.6E-6(3)
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   0.870
_refine_ls_goodness_of_fit_ref   0.831
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     48
_refine_ls_number_reflns         485
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_gt           0.025
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00148|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.044
_refine_ls_wR_factor_ref         0.037
_reflns_number_gt                485
_reflns_number_total             636
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            br1213.cif
_cod_data_source_block           br1213
_cod_original_cell_volume        602.60(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2008659