#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/50/2105059.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105059
loop_
_publ_author_name
'Orosel, Denis'
'Dinnebier, Robert E.'
'Blatov, Vladislav A.'
'Jansen, Martin'
_publ_section_title
;
 Structure of a new high-pressure--high-temperature modification of
 antimony(III) oxide, γ-Sb₂O₃, from high-resolution synchrotron
 powder diffraction data
;
_journal_coeditor_code           KD5053
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1107/S0108768111046751
_journal_volume                  68
_journal_year                    2012
_chemical_formula_analytical     'O3 Sb2'
_chemical_formula_moiety         'O3 Sb2'
_chemical_formula_structural     'O3 Sb2'
_chemical_formula_sum            'O3 Sb2'
_chemical_formula_weight         291.4982
_chemical_name_systematic        'Antimony (III) trioxide'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'International Tables'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   11.64110(10)
_cell_length_b                   7.5666
_cell_length_c                   7.4771
_cell_measurement_temperature    298
_cell_volume                     658.609(6)
_computing_cell_refinement       'TOPAS v4.1, Bruker-AXS, 2007'
_computing_molecular_graphics    'Diamond v3.1, Crystal Impact, 2011'
_computing_structure_refinement  'TOPAS v4.1, Bruker-AXS, 2007'
_computing_structure_solution    'Endeavour v1.4, Cyrstal-Impact, 2000-2006'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'multianalyser stage'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.24804
_pd_instr_location               'ESRF, Grenoble'
_pd_meas_2theta_range_inc        0.002
_pd_meas_2theta_range_max        25.84
_pd_meas_2theta_range_min        1.0
_pd_proc_2theta_range_inc        0.002
_pd_proc_2theta_range_max        25.84
_pd_proc_2theta_range_min        1.0
_pd_proc_ls_prof_R_factor        0.0427
_pd_proc_ls_prof_wR_expected     0.0205
_pd_proc_ls_prof_wR_factor       0.0666
_pd_proc_wavelength              0.24804
_refine_ls_number_parameters     82
_cod_data_source_file            kd5053.cif
_cod_data_source_block           I
_cod_original_cell_volume        658.6
_cod_original_sg_symbol_Hall     P_2ac_2ab
_cod_database_code               2105059
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Sb Sb1 0.2342(2) 0.4688(2) 0.4711(3) 0.50(10) 1.000 4
Sb Sb2 0.5116(2) 0.1844(2) 0.2784(2) 0.70(10) 1.000 4
Sb Sb3 0.0050(2) 0.2450(2) 0.2421(3) 0.70(10) 1.000 4
Sb Sb4 0.2382(2) 0.0095(3) 0.0142(3) 0.70(10) 1.000 4
O O1 0.4097(14) 0.4768(19) 0.162(2) 0.2(3) 1.000 4
O O2 0.1540(14) 0.403(2) 0.263(2) 1.4(4) 1.000 4
O O3 0.1029(14) 0.0264(18) 0.1951(19) 0.1(3) 1.000 4
O O4 0.0043(18) 0.1803(15) 0.5063(19) 1.5(3) 1.000 4
O O5 0.2481(16) 0.2408(19) 0.6186(19) 1.1(4) 1.000 4
O O6 0.3596(16) 0.0479(19) 0.301(3) 1.4(4) 1.000 4
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Sb 3 1.200
O -2 1.200
