Lithium divanadate spinel, LiV~2~O~4~
Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka; Acta Crystallographica, Section E 61 (2005) i137–i139; doi:10.1107/S1600536805020155

data_1101077
_publ_section_title
;
Lithium divanadate spinel, LiV~2~O~4~
;
_journal_coeditor_code           MG6039
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i137
_journal_page_last               i139
_journal_paper_doi               10.1107/S1600536805020155
_journal_volume                  61
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_iupac          'Li O4 V2'
_chemical_formula_moiety         'Li O4 V2'
_chemical_formula_sum            'Li O4 V2'
_chemical_formula_weight         172.82
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.2437(2)
_cell_length_b                   8.2437(2)
_cell_length_c                   8.2437(2)
_cell_measurement_reflns_used    2848
_cell_measurement_temperature    295
_cell_measurement_theta_max      53.17
_cell_measurement_theta_min      9.30
_cell_volume                     560.23(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction
'SAINT and? teXsan (Molecular Structure Corporation, 2001)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2005)'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_database_code_amcsd             0010451
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2848
_diffrn_reflns_theta_full        53.17
_diffrn_reflns_theta_max         53.17
_exptl_absorpt_coefficient_mu    6.469
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.098
_exptl_crystal_description       octahedron
_exptl_crystal_F_000             648.00
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.94
_refine_diff_density_min         -1.11
_refine_ls_extinction_coef       0.0090(10)
_refine_ls_extinction_method
'Zachariasen (1968) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_number_parameters     8
_refine_ls_number_reflns         194
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/(\s^2^(Fo^2^) + {0.07[Max(Fo^2^,0) + 2Fc^2^]/3}^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                183
_reflns_number_total             194
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mg6039.cif
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1101077
_amcsd_formula_title             LiV2O4