Investigation into the Crystal Structure of the Perovskite Lead Hafnate, PbHfO~3~
Corker, D. L.; Glazer, A. M.; Kaminsky, W.; Whatmore, R. W.; Dec, J.; Roleder, K.; Acta Crystallographica Section B 54 (1998) 18–28; doi:10.1107/S0108768197009208

data_2105548
_publ_section_title
;
 Investigation into the Crystal Structure of the Perovskite Lead Hafnate,
 PbHfO~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               28
_journal_paper_doi               10.1107/S0108768197009208
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Hf O3 Pb'
_chemical_formula_weight         433.68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   5.8560(10)
_cell_length_b                   11.729(3)
_cell_length_c                   8.212(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    100
_cell_measurement_theta_max      12.25
_cell_measurement_theta_min      9.75
_cell_volume                     564.0(2)
_diffrn_measurement_device       'Stoe Stadi-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1046
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4065
_diffrn_reflns_theta_max         34
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    97.16
_exptl_absorpt_correction_T_max  0.1433
_exptl_absorpt_correction_T_min  0.0846
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    10.21
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.035
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.4
_refine_diff_density_min         -4.1
_refine_ls_extinction_coef       8.7(6)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   1.07
_refine_ls_number_parameters     33
_refine_ls_number_reflns         439
_refine_ls_R_factor_obs          0.0383
_refine_ls_shift/esd_max         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Tukey & Prince, three parameters: 19.9, -20.1, 15.0'
_refine_ls_wR_factor_obs         0.0447
_reflns_number_observed          439
_reflns_number_total             942
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bm0011.cif
_cod_data_source_block           bm0011a
_cod_original_cell_volume        564.04
_cod_original_formula_sum        'Pb1 Hf1 O3'
_cod_database_code               2105548