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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/1/52/98/1529893.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_1529893
loop_
_publ_author_name
'Efremov, V.A.'
'Trunov, V.K.'
'Matsichek, I.'
'Gudinitsa, E.N.'
'Fakeev, A.A.'
_publ_section_title
;
 Non-equivalence of the H-atoms in Cs H5 (P O4)2 crystals
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              3213
_journal_page_last               3216
_journal_volume                  26
_journal_year                    1981
_chemical_formula_sum            'Cs H5 O8 P2'
_chemical_name_systematic        'Cs H5 (P O4)2'
_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                 96.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.879
_cell_length_b                   7.768
_cell_length_c                   9.526
_cell_volume                     799.689
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Efremov_ZNOKAQ_1981_886.cif
_cod_data_source_block           H5Cs1O8P2
_cod_original_cell_volume        799.6888
_cod_original_formula_sum        'H5 Cs1 O8 P2'
_cod_database_code               1529893
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
P1 P+5 0.4386 0.6954 0.1748 1 0.0
P2 P+5 0.0707 0.6901 0.2353 1 0.0
H1 H+1 0.397 0.81 -0.004 1 0.0
O1 O-2 0.428 0.7854 0.3119 1 0.0
H2 H+1 0.583 -0.24 0.418 1 0.0
O3 O-2 0.4225 0.8368 0.0577 1 0.0
O6 O-2 0.1585 0.5379 0.2578 1 0.0
H4 H+1 0.094 0.77 0.032 1 0.0
O7 O-2 0.108 0.8127 0.1175 1 0.0
O4 O-2 0.5705 0.6177 0.1687 1 0.0
H5 H+1 -0.054 0.5 0.144 1 0.0
O5 O-2 0.0651 0.7989 0.3656 1 0.0
O8 O-2 -0.0616 0.6202 0.183 1 0.0
H3 H+1 0.223 0.53 0.238 1 0.0
Cs1 Cs+1 0.24127 0.17693 0.04541 1 0.0
O2 O-2 0.3471 0.5484 0.1446 1 0.0
