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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/1/52/81/1528142.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_1528142
loop_
_publ_author_name
'Tordjman, I.'
'Beucher, M.'
'Guitel, J.C.'
'Bassi, G.'
_publ_section_title
;
 Structure cristalline du polyphosphate de cadmium Cd (P O3)2
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              344
_journal_page_last               349
_journal_volume                  91
_journal_year                    1968
_chemical_formula_sum            'Cd O6 P2'
_chemical_name_systematic        'Cd (P O3)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.607
_cell_length_b                   13.7
_cell_length_c                   7.037
_cell_volume                     926.181
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Tordjman_BUFCAE_1968_1705.cif
_cod_data_source_block           Cd1O6P2
_cod_original_cell_volume        926.1812
_cod_original_formula_sum        'Cd1 O6 P2'
_cod_database_code               1528142
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
-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
O4 O-2 0.153 0.397 0.645 1 0.0
O6 O-2 0.125 0.49 0.127 1 0.0
Cd1 Cd+2 -0.009 0.2055 0.0558 1 0.0
O1 O-2 0.288 0.376 0.007 1 0.0
O3 O-2 0.396 0.317 0.621 1 0.0
O5 O-2 0.291 0.409 0.35 1 0.0
P2 P+5 0.32 0.404 0.587 1 0.0
P1 P+5 0.213 0.397 0.178 1 0.0
O2 O-2 0.089 0.331 0.237 1 0.0
