Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>
Ai-Li Xie; Chun-An Ma; Acta Crystallographica Section C 61 (2005) i67–i68; doi:10.1107/S0108270105013181

data_2014945
_publ_section_title
;
 Hexalithium hexadecahydrate decavanadate,
 [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i67
_journal_page_last               i68
_journal_paper_doi               10.1107/S0108270105013181
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Li6 (H2 O)16 V10 O28'
_chemical_formula_moiety         'H32 Li6 O44 V10'
_chemical_formula_sum            'H32 Li6 O44 V10'
_chemical_formula_weight         1287.29
_chemical_name_systematic
;
poly[octa-\m-aqua-ocataqua-\m-decavanadato-hexalithium]
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.6164(2)
_cell_length_b                   10.31890(10)
_cell_length_c                   9.2348(3)
_cell_measurement_reflns_used    16740
_cell_measurement_temperature    273.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.3
_cell_volume                     1678.72(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation, 2002)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'WinGX (Farrugia, 1999)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>, 1996)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_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  0.021
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            16609
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.794
_exptl_absorpt_correction_T_max  0.484
_exptl_absorpt_correction_T_min  0.391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264.00
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     160
_refine_ls_number_reflns         1611
_refine_ls_number_restraints     5
_refine_ls_R_factor_gt           0.0210
_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         0.0720
_reflns_number_gt                1611
_reflns_number_total             2044
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ta1489.cif
_cod_data_source_block           I
_cod_database_code               2014945