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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015652.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_9015652
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium
 cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo-
 hexaphosphate tritellurate tetrahydrate
 _cod_database_code 1007249
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1576
_journal_page_last               1579
_journal_paper_doi               10.1107/S0108270191001403
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'H12 K6 O33 P6 Te2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.084
_cell_length_b                   13.084
_cell_length_c                   34.799990000
_cell_formula_units_Z            6
_cell_volume                     5159.300
_database_code_amcsd             0015931
_exptl_crystal_density_diffrn    2.348
_cod_duplicate_entry             1007249
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Te2 K6 P6 O33 H12'
_cod_database_code               9015652
_amcsd_formula_title             'H18 K6 O33 P6 Te2'
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
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
y,x,1/2-z
2/3+y,1/3+x,5/6-z
1/3+y,2/3+x,1/6-z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-x,-x+y,1/2-z
2/3-x,1/3-x+y,5/6-z
1/3-x,2/3-x+y,1/6-z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
x-y,-y,1/2-z
2/3+x-y,1/3-y,5/6-z
1/3+x-y,2/3-y,1/6-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
Te1 0.00000 0.00000 0.13939
K1 0.43031 0.00000 0.25000
K2 0.50000 0.00000 0.50000
P1 0.47833 0.37028 0.84847
O1 0.13200 0.03770 0.32827
O2 0.13620 0.09840 0.10866
O3 0.24910 0.32280 0.16494
O4 0.46560 0.34700 0.27905
O5 0.47710 0.19710 0.31754
O6 0.21530 0.00000 0.25000
H1 0.09700 0.18900 0.16400
H2 0.76200 0.47900 0.24700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015931
