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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/22/1542243.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1542243
loop_
_publ_author_name
'Sauvage, J.P.'
'Maraine, P.'
'Perez, G.'
_publ_section_title
;
 Structure cristalline de l'antimoniate (III) de potassium K Sb3 O5
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              549
_journal_page_last               555
_journal_volume                  13
_journal_year                    1976
_chemical_formula_sum            'K O5 Sb3'
_chemical_name_systematic        'K Sb3 O5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.505
_cell_length_b                   13.946
_cell_length_c                   7.86
_cell_volume                     661.902
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Sauvage_RVCMA8_1976_750.cif
_cod_data_source_block           K1O5Sb3
_cod_original_cell_volume        661.9021
_cod_original_formula_sum        'K1 O5 Sb3'
_cod_database_code               1542243
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sb3 Sb+3 0.4905 0.6416 0.4121 1 0.0
O5 O-2 0.817 0.37 0.207 1 0.0
O2 O-2 0.196 0.041 0.106 1 0.0
K1 K+1 0.0471 0.2435 0.0938 1 0.0
O4 O-2 0.67 0.347 0.456 1 0.0
Sb1 Sb+3 0.0128 0.4868 0.2981 1 0.0
O3 O-2 0.257 0.406 0.316 1 0.0
O1 O-2 0.386 0.273 0.026 1 0.0
Sb2 Sb+3 0.4633 0.8975 0.3294 1 0.0
