X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite
Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt; Journal of Synchrotron Radiation 13 (2005) 46–53; doi:10.1107/S0909049505039208

data_1513300
_publ_section_title
;
 X-ray powder diffraction beamline at D10B of LNLS: application to the
 Ba2FeReO6double perovskite
;
_journal_coeditor_code           ML5212
_journal_issue                   1
_journal_name_full               'Journal of Synchrotron Radiation'
_journal_page_first              46
_journal_page_last               53
_journal_paper_doi               10.1107/S0909049505039208
_journal_volume                  13
_journal_year                    2005
_chemical_formula_analytical     'Y2 O3'
_chemical_formula_moiety         'Y2 O3'
_chemical_formula_structural     'Y2 O3'
_chemical_formula_sum            'O3 Y2'
_chemical_formula_weight         225.81
_chemical_melting_point          2683
_chemical_name_common            'yttria oxide'
_chemical_name_systematic        'yttria oxide'
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.604000(4)
_cell_length_b                   10.604000(4)
_cell_length_c                   10.604000(4)
_cell_measurement_temperature    295
_cell_volume                     1192.3648(8)
_computing_data_collection       'SPEC (Certified Scientific Software, 1992)'
_computing_data_reduction        'POWF 2.11 (Virginia Tech, 2001-2003)'
_computing_structure_refinement  GSAS
_computing_structure_solution    'GSAS (Larson & Von Dreele, 2001)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Huber 4+2 circle diffractometer'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.377909
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    5.01
_refine_ls_goodness_of_fit_all   0.83
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_reflns_number_total             191
_cod_data_source_file            ml5212sup1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (36
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (138 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1192.3800(10)
_cod_original_sg_symbol_Hall     'I a -3'
_cod_database_code               1513300