Cubic phase of single-crystal LaAlO~3~ perovskite synthesized at 4.5 GPa and 1273 K
Nakatsuka, Akihiko; Ohtaka, Osamu; Arima, Hiroshi; Nakayama, Noriaki; Mizota, Tadato; Acta Crystallographica, Section E 61 (2005) i148–i150; doi:10.1107/S1600536805020441

data_2206576
_publ_section_title
;
Cubic phase of single-crystal LaAlO~3~ perovskite synthesized at 4.5 GPa and
1273 K
;
_journal_coeditor_code           WM6077
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i148
_journal_page_last               i150
_journal_paper_doi               10.1107/S1600536805020441
_journal_volume                  61
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_iupac          'La Al O3'
_chemical_formula_structural     'La Al O3'
_chemical_formula_sum            'Al La O3'
_chemical_formula_weight         213.89
_chemical_name_systematic
;
lanthanum aluminium trioxide
;
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.7913(2)
_cell_length_b                   3.7913(2)
_cell_length_c                   3.7913(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      22.0
_cell_measurement_theta_min      20.5
_cell_volume                     54.496(5)
_computing_cell_refinement       WinAFC
_computing_data_collection       'WinAFC (Rigaku Corporation, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 2000)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    TEXSAN
_database_code_amcsd             0010454
_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           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            521
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_standards_decay_%        0.42
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    19.601
_exptl_absorpt_correction_T_max  0.414
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    6.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             94
_exptl_crystal_pressure_history  'synthesized at 4.5 GPa'
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.045
_exptl_crystal_thermal_history   'synthesized at 4.5 GPa and 1273 K'
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.64
_refine_ls_extinction_coef       0.34(2)
_refine_ls_extinction_method
'Zachariasen (1967), type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_number_parameters     6
_refine_ls_number_reflns         116
_refine_ls_R_factor_gt           0.0081
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00008|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0101
_reflns_number_gt                116
_reflns_number_total             116
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            wm6077.cif
_cod_database_code               2206576
_amcsd_formula_title             LaAlO3