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#$Date: 2025-08-18 17:14:33 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535907.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_1535907
loop_
_publ_author_name
'Itoh, K.'
'Hagiwara, T.'
'Nakamura, E.'
_publ_section_title
;
 Order disorder type phase transition in ferroelectric Cs D2 P O4 studied
 by X-ray structure analysis
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2626
_journal_page_last               2629
_journal_volume                  52
_journal_year                    1983
_chemical_formula_sum            'Cs D2 O4 P'
_chemical_name_systematic        'Cs (D2 P O4)'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.73
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.906
_cell_length_b                   6.372
_cell_length_c                   4.883
_cell_volume                     234.307
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Itoh_JUPSAU_1983_691.cif
_cod_data_source_block           D2Cs1O4P1
_cod_original_formula_sum        'D2 Cs1 O4 P1'
_cod_database_code               1535907
loop_
_symmetry_equiv_pos_as_xyz
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
D1 D+1 0.361 0.75 0.22 1 0.0
P1 P+5 0.23901 0.763 0.5288 1 0.0
D2 D+1 0 0.5 0.5 1 0.0
O2 O-2 0.3237 0.7556 0.8463 1 0.0
O1 O-2 0.3942 0.753 0.3894 1 0.0
Cs1 Cs+1 0.26471 0.25 0.03156 1 0.0
O4 O-2 0.124 0.942 0.4007 1 0.0
O3 O-2 0.136 0.546 0.433 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047176
