Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~
Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M.; Acta Crystallographica Section B 55 (1999) 726–735; doi:10.1107/S0108768199005108

data_2105682
_publ_section_title
;
 Synchrotron radiation study of yttria-stabilized zirconia,
 Zr~0.758~Y~0.242~O~1.879~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              726
_journal_page_last               735
_journal_paper_doi               10.1107/S0108768199005108
_journal_volume                  55
_journal_year                    1999
_chemical_formula_analytical     Zr.758_Y.242_O1.879
_chemical_formula_sum            'O1.879 Y0.242 Zr0.758'
_chemical_formula_weight         120.73
_chemical_name_common            'Yttria-stabilized cubic zirconia'
_chemical_name_systematic        'Yttrium Zirconium Oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.15463(5)
_cell_length_b                   5.15463(5)
_cell_length_c                   5.15463(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      43.79
_cell_measurement_theta_min      34.40
_cell_volume                     136.960(2)
_computing_data_reduction
'xtal_DIFDAT_ABSORB_SORTRF_ADDREF (Hall et al., 1995)'
_computing_molecular_graphics    'xtal (Hall et al., 1995)'
_computing_publication_material  'xtal_CIFIO (Hall et al., 1995)'
_computing_structure_refinement  'xtal_CRYLSQ (Hall et al., 1995)'
_computing_structure_solution    'xtal (Hall et al., 1995)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'horizontal-type four-circle'
_diffrn_measurement_method       'continuous theta/2theta scan'
_diffrn_radiation_monochromator  'Si(111) double crystal'
_diffrn_radiation_type           'Synchrotron radiation'
_diffrn_radiation_wavelength     .7281
_diffrn_reflns_av_R_equivalents  .018
_diffrn_reflns_av_sigmaI/netI    .008
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1258
_diffrn_reflns_theta_max         69.8
_diffrn_reflns_theta_min         7.04
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    7.12
_exptl_absorpt_correction_T_max  .8350
_exptl_absorpt_correction_T_min  .8307
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            'transparent colourless'
_exptl_crystal_density_diffrn    5.855
_exptl_crystal_F_000             219.16
_exptl_crystal_size_rad          .0175(5)
_refine_diff_density_max         .286
_refine_diff_density_min         -.459
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   0
_refine_ls_extinction_coef       20E2(2)
_refine_ls_extinction_method     'Becker & Coppens (1974a,b)'
_refine_ls_goodness_of_fit_all   5.876
_refine_ls_goodness_of_fit_obs   5.876
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     10
_refine_ls_number_reflns         90
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .009
_refine_ls_R_factor_obs          .009
_refine_ls_shift/esd_max         0
_refine_ls_shift/esd_mean        0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      \s
_refine_ls_wR_factor_all         .013
_refine_ls_wR_factor_obs         .013
_reflns_number_observed          90
_reflns_number_total             90
_reflns_observed_criterion       refl_observed_if_F____>_3.000_sigma(F___)
_cod_data_source_file            oh0066.cif
_cod_data_source_block           ysz_n
_cod_original_cell_volume        136.960(4)
_cod_original_formula_sum        'Zr0.758 Y0.242 O1.879'
_cod_database_code               2105682