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_2009227
_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           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8102(8)
_cell_length_b                   5.8102(8)
_cell_length_c                   8.4806(9)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      13.9
_cell_volume                     286.29(6)
_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    'PATTY in DIRDIF92 (Beurskens et al., 1992)'
_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  0.070
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2572
_diffrn_reflns_theta_full        49.97
_diffrn_reflns_theta_max         49.97
_diffrn_standards_decay_%        0.31
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.781
_exptl_absorpt_correction_T_max  0.129
_exptl_absorpt_correction_T_min  0.067
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
'(TEXSAN; Molecular Structure Corporation/Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sphere
_exptl_crystal_size_rad          0.150
_refine_diff_density_max         1.00
_refine_diff_density_min         -2.23
_refine_ls_extinction_coef       0.33(7)
_refine_ls_extinction_method
'Zachariasen(1967) type 2, Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.862
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     14
_refine_ls_number_reflns         395
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0004|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0412
_reflns_number_gt                395
_reflns_number_total             424
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            br1244.cif
_cod_data_source_block           200K
_cod_original_cell_volume        286.29(5)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               2009227