#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016108.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_9016108
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
'Tordjman, I.'
_publ_section_title
;
 Cadmium trimetaphosphate tetradecahydrate, Cd3(P3O9)2(H2O)14
 _cod_database_code 1007056
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              89
_journal_page_last               90
_journal_volume                  2
_journal_year                    1973
_chemical_formula_sum            'Cd O8 P2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.228
_cell_length_b                   12.228
_cell_length_c                   5.451
_cell_volume                     705.859
_database_code_amcsd             0012327
_exptl_crystal_density_diffrn    2.134
_cod_duplicate_entry             1007056
_cod_original_formula_sum        'Cd P2 O8'
_cod_database_code               9016108
_amcsd_formula_title             Cd3(P3O9)2(H2O)14
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-x,-y,-z
-y,x-y,z
x-y,x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd1 0.50000 0.50000 0.00000
P1 0.64500 0.45780 0.49030
O1 0.54070 0.31350 0.53110
O2 0.64160 0.48430 0.22190
O3 0.62630 0.53480 0.66840
O4 0.61770 0.71550 0.01020
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012327
