#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014332.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_9014332
loop_
_publ_author_name
'Averbuch-Pouchot M'
_publ_section_title
;
 Crystal data and crystal structure of silver cyclohexaphosphate
 monohydrate: Ag6 P6 O18 . H2 O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              17
_journal_page_last               23
_journal_volume                  189
_journal_year                    1989
_chemical_formula_sum            'Ag3 O9.5 P3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   14.807
_cell_length_b                   14.807
_cell_length_c                   6.597
_cell_formula_units_Z            6
_cell_volume                     1252.597
_database_code_amcsd             0016736
_exptl_crystal_density_diffrn    4.522
_cod_duplicate_entry             1008869
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ag3 P3 O9.5'
_cod_database_code               9014332
_amcsd_formula_title             'Ag6 H2 O19 P6'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag1 0.92873 0.39399 0.91249 1.00000
P1 0.96039 0.16535 0.06300 1.00000
O1 0.54740 0.37690 0.42380 1.00000
O2 0.57620 0.54920 0.28740 1.00000
O3 0.86090 0.32260 0.59680 1.00000
O4 0.00000 0.00000 0.47800 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016736
