Polymeric bis(lithium disodium nonahydrate) decavanadate, {[LiNa~2~(H~2~O)~9~]~2~[V~10~O~28~]}~<i>n~</i>
Chun-An Ma; Ai-Li Xie; Lian-Bang Wang; Acta Crystallographica Section E 61 (2005) i185–i187; doi:10.1107/S1600536805023123

data_2206345
_publ_section_title
;
 Polymeric bis(lithium disodium nonahydrate) decavanadate,
 {[LiNa~2~(H~2~O)~9~]~2~[V~10~O~28~]}~<i>n~</i>
;
_journal_coeditor_code           BR6199
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i185
_journal_page_last               i187
_journal_paper_doi               10.1107/S1600536805023123
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Li2 Na4 (H2 O)18 V10 O28]'
_chemical_formula_moiety         'H36 Li2 Na4 O46 V10'
_chemical_formula_structural     '(Li Na2 (H2 O)9)2 V10 O28'
_chemical_formula_sum            'H36 Li2 Na4 O46 V10'
_chemical_formula_weight         1387.51
_chemical_name_systematic
;
poly[penta-\m-aqua-tetraaqua-\m-decavanadato-lithium(I)disodium(I)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                105.636(3)
_cell_angle_beta                 101.852(3)
_cell_angle_gamma                99.257(3)
_cell_formula_units_Z            1
_cell_length_a                   8.5386(6)
_cell_length_b                   10.6333(7)
_cell_length_c                   11.8912(6)
_cell_measurement_reflns_used    5541
_cell_measurement_temperature    273.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     990.39(11)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2002)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9848
_diffrn_measured_fraction_theta_max 0.9865
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9308
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.421
_exptl_absorpt_correction_T_max  0.616
_exptl_absorpt_correction_T_min  0.438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4467
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.001Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                3990
_reflns_number_total             4471
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            br6199.cif
_cod_data_source_block           I
_cod_original_cell_volume        990.40(10)
_cod_database_code               2206345