Inversion parameter of the CoGa~2~O~4~ spinel determined from single-crystal X-ray data
Nakatsuka, Akihiko; Ikeda, Yuya; Nakayama, Noriaki; Mizota, Tadato; Acta Crystallographica Section E 62 (2006) i109–i111; doi:10.1107/S1600536806011044

data_2209029
_publ_section_title
;
 Inversion parameter of the CoGa~2~O~4~ spinel determined from
 single-crystal X-ray data
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i109
_journal_page_last               i111
_journal_paper_doi               10.1107/S1600536806011044
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Co Ga2 O4'
_chemical_formula_moiety         'Co Ga2 O4'
_chemical_formula_structural     'Co Ga2 O4'
_chemical_formula_sum            'Co Ga2 O4'
_chemical_formula_weight         262.37
_chemical_name_systematic        'cobalt digallium tetraoxide'
_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                   8.3281(3)
_cell_length_b                   8.3281(3)
_cell_length_c                   8.3281(3)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    296
_cell_measurement_theta_max      24.7
_cell_measurement_theta_min      20.0
_cell_volume                     577.61(4)
_computing_cell_refinement       WinAFC
_computing_data_collection       'WinAFC (Rigaku Corporation, 1999)'
_computing_data_reduction        'RADY (Sasaki, 1987)'
_computing_molecular_graphics    'ATOMS (Dowty, 2000)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  RADY
_computing_structure_solution
'TEXSAN (Molecular Structure Corporation, 1999)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            613
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_standards_decay_%        0.96
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    24.014
_exptl_absorpt_correction_T_max  0.115
_exptl_absorpt_correction_T_min  0.060
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    6.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.43
_refine_ls_extinction_coef       3.06(6)\\times10^-4^
_refine_ls_extinction_method
'isotropic Type I (Becker & Coppens, 1974a,b)'
_refine_ls_goodness_of_fit_ref   1.722
_refine_ls_number_parameters     9
_refine_ls_number_reflns         215
_refine_ls_R_factor_gt           0.0174
_refine_ls_shift/su_max          0.00008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0229
_reflns_number_gt                215
_reflns_number_total             248
_reflns_threshold_expression     F>3\s(F)
_cod_data_source_file            wm2007.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               2209029
_cod_database_fobs_code          2209029