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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/66/9016643.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016643
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
_publ_section_title
;
 Structure of tetracaesium tetrametaphosphate tetrahydrate.
 _cod_database_code 1007166
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              131
_journal_page_last               133
_journal_paper_doi               10.1107/S0108270186097044
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Cs O4 P'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.466
_cell_length_b                   9.466
_cell_length_c                   21.933
_cell_formula_units_Z            16
_cell_volume                     1965.310
_database_code_amcsd             0010025
_exptl_crystal_density_diffrn    3.081
_cod_duplicate_entry             1007166
_cod_original_formula_sum        'Cs P O4'
_cod_database_code               9016643
_amcsd_formula_title             'Cs4 H8 O16 P4'
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x,1/4+z
-x,-y,1/2+z
y,-x,3/4+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Cs1 0.48210 0.19620 0.00000 0
Cs2 0.45150 0.31280 0.50468 0
Cs3 0.08670 0.25560 0.08807 0
Cs4 0.23540 0.02020 0.33618 0
P1 0.19830 0.62750 0.42700 0
P2 0.35100 0.94310 0.16400 0
P3 0.49220 0.21780 0.17930 0
P4 0.92070 0.76790 0.41000 0
O1 0.73000 0.41200 0.98450 0
O2 0.27700 0.70900 0.38060 0
O3 0.49300 0.86500 0.14140 0
O4 0.71000 0.94300 0.19710 0
O5 0.27400 0.85800 0.21070 0
O6 0.28000 -0.01000 0.10760 0
O7 0.92600 0.41300 0.45140 0
O8 0.40400 0.29800 0.13590 0
O9 0.54100 0.28700 0.23560 0
O10 0.83900 0.03500 0.10250 0
O11 0.84600 0.16500 0.20650 0
O12 0.62400 0.15600 0.13950 0
O13 0.52500 0.83400 0.35090 2
O14 0.44600 0.28500 0.35240 2
O15 0.72100 0.10300 0.49210 2
O16 0.73400 0.98200 0.98830 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010025
