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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/1/52/55/1525548.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_1525548
loop_
_publ_author_name
'Adair, B.A.'
'Cheetham, A.K.'
_publ_section_title
;
 Synthesis and structure of Sb5 P O10, a new phosphate of antimony(III)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              451
_journal_page_last               454
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'O10 P Sb5'
_chemical_name_systematic        'Sb5 O6 (P O4)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8373
_cell_length_b                   7.0932
_cell_length_c                   19.873
_cell_volume                     963.807
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Adair_JSSCBI_2000_73.cif
_cod_data_source_block           O10P1Sb5
_cod_original_cell_volume        963.8074
_cod_original_formula_sum        'O10 P1 Sb5'
_cod_database_code               1525548
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
O10 O-2 0.2173 0.0268 0.0194 1 0.0
O5 O-2 0.3777 0.3714 0.9097 1 0.0
Sb1 Sb+3 0.6217 0.76828 0.81257 1 0.0
O7 O-2 0.8468 0.5827 0.753 1 0.0
Sb5 Sb+3 0.3889 0.46301 0.00058 1 0.0
O2 O-2 0.8454 0.949 0.7988 1 0.0
O6 O-2 0.4289 0.8243 0.0963 1 0.0
P1 P+5 0.4017 0.9064 0.0259 1 0.0
O4 O-2 0.3879 0.7376 0.9746 1 0.0
O9 O-2 0.0771 0.4666 0.995 1 0.0
Sb3 Sb+3 0.14795 0.97275 0.84066 1 0.0
Sb4 Sb+3 0.59136 0.26468 0.85468 1 0.0
O1 O-2 0.7734 0.2297 0.6993 1 0.0
O3 O-2 0.5664 0.8612 0.7203 1 0.0
O8 O-2 0.4672 0.0129 0.8455 1 0.0
Sb2 Sb+3 0.90648 0.98549 0.69617 1 0.0
