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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/1/53/03/1530363.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_1530363
loop_
_publ_author_name
'Matsunaga, H.'
'Itoh, K.'
'Nakamura, E.'
_publ_section_title
;
 X-ray structural study of ferroelectric cesium dihydrogen phosphate at
 room temperature
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2011
_journal_page_last               2014
_journal_volume                  48
_journal_year                    1980
_chemical_formula_sum            'Cs H2 O4 P'
_chemical_name_systematic        'Cs H2 P O4'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.73
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.912
_cell_length_b                   6.383
_cell_length_c                   4.8802
_cell_volume                     234.755
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Matsunaga_JUPSAU_1980_625.cif
_cod_data_source_block           H2Cs1O4P1
_cod_original_cell_volume        234.7549
_cod_original_formula_sum        'H2 Cs1 O4 P1'
_cod_database_code               1530363
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
O2 O-2 0.3222 0.75 0.8447 1 0.0
H1 H+1 0.348 0.75 0.195 1 0.0
P1 P+5 0.237 0.75 0.5293 1 0.0
O1 O-2 0.3898 0.75 0.3874 1 0.0
H2 H+1 0 0.5 0.5 1 0.0
O3 O-2 0.1266 0.554 0.4178 1 0.0
Cs1 Cs+1 0.26569 0.25 0.0354 1 0.0
