Tetrapotassium disodium decavanadate(V) decahydrate
Matias, Pedro M.; Pessoa, João C.; Duarte, Maria Teresa; Madeira, Catarina; Acta Crystallographica Section C 56 (2000) e75–e76; doi:10.1107/S0108270100001530

data_2010747
_publ_section_title
;
 Tetrapotassium disodium decavanadate(V) decahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e75
_journal_page_last               e76
_journal_paper_doi               10.1107/S0108270100001530
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'K4 Na2 [V10 O28], 10H2 O'
_chemical_formula_moiety         'V10 O28, 2(Na), 4(K), 10(H2O)'
_chemical_formula_sum            'H20 K4 Na2 O38 V10'
_chemical_formula_weight         1339.94
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.194(5)
_cell_angle_beta                 87.122(5)
_cell_angle_gamma                66.172(5)
_cell_formula_units_Z            1
_cell_length_a                   8.5893(6)
_cell_length_b                   10.3543(6)
_cell_length_c                   10.9893(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.93
_cell_measurement_theta_min      14.02
_cell_volume                     830.75(10)
_computing_cell_refinement       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP (Nonius, 1985)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL97 (Sheldrick & Schneider, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick & Schneider, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR-591 rotating anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_av_sigmaI/netI    .0152
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5134
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        .9
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.332
_exptl_absorpt_correction_T_max  .368
_exptl_absorpt_correction_T_min  .252
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            dark_orange
_exptl_crystal_density_diffrn    2.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .30
_refine_diff_density_max         1.063
_refine_diff_density_min         -1.280
_refine_ls_extinction_coef       .0032(4)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4832
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          .033
_refine_ls_R_factor_gt           .028
_refine_ls_shift/su_max          .010
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0320P)^2^+1.1139P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .074
_reflns_number_gt                4320
_reflns_number_total             4832
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0220.cif
_cod_data_source_block           I
_cod_original_cell_volume        830.75(9)
_cod_database_code               2010747
_cod_database_fobs_code          2010747