Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets
Etschmann, Barbara; Streltsov, Victor; Ishizawa, Nobuo; Maslen, E. N.; Acta Crystallographica Section B 57 (2001) 136–141; doi:10.1107/S0108768100019923

data_2103616
_publ_section_title
;
 Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              136
_journal_page_last               141
_journal_paper_doi               10.1107/S0108768100019923
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'Al5 Er3 O12'
_chemical_formula_sum            'Al5 Er3 O12'
_chemical_formula_weight         828.68
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   11.9928(2)
_cell_length_b                   11.9928(2)
_cell_length_c                   11.9928(2)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    293
_cell_measurement_theta_max      81.060
_cell_measurement_theta_min      77.420
_cell_volume                     1724.89(5)
_computing_data_reduction        'xtal DIFDAT ADDREF SORTRF ABSORB'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  BL14A_diffractometer
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .7500(2)
_diffrn_reflns_av_R_equivalents  .09
_diffrn_reflns_av_sigmaI/netI    .026
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38377
_diffrn_reflns_theta_max         57.41
_diffrn_reflns_theta_min         4.39
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 94
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    32.72
_exptl_absorpt_correction_T_max  .66
_exptl_absorpt_correction_T_min  .41
_exptl_absorpt_correction_type   'analytical (Alcock, 1974)'
_exptl_absorpt_process_details   'Alcock (1974)'
_exptl_crystal_colour            light_red
_exptl_crystal_density_diffrn    6.382
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             2920
_exptl_crystal_size_max          .021
_exptl_crystal_size_mid          .020
_exptl_crystal_size_min          .013
_refine_diff_density_max         2.1
_refine_diff_density_min         -4.8
_refine_ls_extinction_coef       0.35(7)x10^4^
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   3.097
_refine_ls_goodness_of_fit_ref   3.097
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .022
_refine_ls_R_factor_gt           .022
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .028
_refine_ls_wR_factor_ref         .028
_reflns_number_gt                866
_reflns_number_total             866
_reflns_threshold_expression     F>3\s(F)
_cod_data_source_file            os0064.cif
_cod_data_source_block           Er3Al5O12
_cod_original_cell_volume        1724.89(9)
_cod_original_sg_symbol_Hall     '-I 4bd 2ab 3'
_cod_database_code               2103616
_cod_database_fobs_code          2103616