The low-temperature tetragonal phase of NiCr~2~O~4~
Ueno, Go; Sato, Shoichi; Kino, Yoshihiro; Acta Crystallographica Section C 55 (1999) 1963–1966; doi:10.1107/S0108270199011713

data_2009226
_publ_section_title
;
 The low-temperature tetragonal phase of NiCr~2~O~4~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1963
_journal_page_last               1966
_journal_paper_doi               10.1107/S0108270199011713
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Ni Cr2 O4'
_chemical_formula_sum            'Cr2 Ni O4'
_chemical_formula_weight         226.69
_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                   8.3093(4)
_cell_length_b                   8.3093(4)
_cell_length_c                   8.3093(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    302
_cell_measurement_theta_max      24.8
_cell_measurement_theta_min      14.0
_cell_volume                     573.71(5)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection
'Rigaku/AFC Diffractometer Control Software (Rigaku, 1995)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation/Rigaku, 1998)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2945
_diffrn_reflns_theta_full        49.90
_diffrn_reflns_theta_max         49.90
_diffrn_standards_decay_%        1.20
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.754
_exptl_absorpt_correction_T_max  0.129
_exptl_absorpt_correction_T_min  0.067
_exptl_absorpt_correction_type   spherical
_exptl_absorpt_process_details
'(TEXSAN; Molecular Structure Corporation/Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sphere
_exptl_crystal_size_rad          0.15
_refine_diff_density_max         '2.41 e \%A^-3^ at (1/8,1/8,1/8)'
_refine_diff_density_min         -1.04
_refine_ls_extinction_coef       0.55(7)
_refine_ls_extinction_method
'Zachariasen (1967) type 2, Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.894
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     8
_refine_ls_number_reflns         172
_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0009|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.058
_reflns_number_gt                172
_reflns_number_total             174
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            br1244.cif
_cod_data_source_block           300K
_cod_original_cell_volume        573.71(4)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               2009226