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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/9/01/62/9016282.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_9016282
loop_
_publ_author_name
'Boudjada, N.'
'Lambert Andron, B.'
_publ_section_title
;
 Neutron structural refinement of Te (O H)6 (Na3 P3 O9)2 (H2O)6,
 study of hydrogen bonds
 _cod_database_code 1008321
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              45
_journal_page_last               53
_journal_volume                  172
_journal_year                    1985
_chemical_formula_sum            'H12 Na6 O30 P6 Te'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.67
_cell_length_b                   11.67
_cell_length_c                   12.12
_cell_formula_units_Z            2
_cell_volume                     1429.470
_database_code_amcsd             0016236
_exptl_crystal_density_diffrn    2.192
_cod_duplicate_entry             1008321
_cod_original_formula_sum        'Te P6 Na6 O30 H12'
_cod_database_code               9016282
_amcsd_formula_title             'H18 Na6 O30 P6 Te'
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Te1 0.00000 0.00000 0.00000 0
P1 0.49800 0.74770 0.49300 0
Na1 0.13100 0.57090 0.25000 0
Na2 0.15320 0.87090 0.25000 0
O1 0.23820 0.48080 0.12800 0
O2 0.40330 0.59470 0.52630 0
O3 0.61220 0.80450 0.56960 0
O4 0.13670 0.00170 0.09320 0
O5 0.38330 0.03780 0.25000 0
O6 0.35090 0.32640 0.25000 2
H1 0.39920 0.09390 0.18740 0
H3 0.21050 0.06410 0.07320 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016236
