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#$Date: 2015-09-09 11:39:28 +0300 (Wed, 09 Sep 2015) $
#$Revision: 155539 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530435.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530435
loop_
_publ_author_name
'Moret, J.'
'Philippot, E.'
'Maurin, M.'
_publ_section_title
;
 Etude du ternaire N H3-Te O3-H2 O. Synthese et etude cristallochimique de
 (N H4)2 Te3 O8 (O H)4
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              39
_journal_page_last               47
_journal_volume                  16
_journal_year                    1979
_chemical_formula_sum            'H12 N2 O12 Te3'
_chemical_name_systematic        '(N H4)2 Te3 O8 (O H)4'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.541
_cell_length_b                   20.467
_cell_length_c                   6.431
_cell_volume                     2177.181
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Moret_RVCMA8_1979_402.cif
_cod_data_source_block           H12N2O12Te3
_cod_database_code               1530435
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Te1 Te+6 0 0 0 1 0.0
O6 O-2 0.0341 0.4343 0.303 1 0.0
H1 H+1 0.097 0.075 0.92 1 0.0
N1 N-3 -0.0052 0.2027 0.063 1 0.0
O1 O-2 0.106 0.0393 -0.001 1 0.0
O4 O-2 0.0691 0.0271 0.5 1 0.0
O3 O-2 0.5059 0.1508 -0.018 1 0.0
Te2 Te+6 0.46075 0.06563 -0.0003 1 0.0
O5 O-2 0.2089 0.1872 0.448 1 0.0
O2 O-2 0.3559 0.0943 0.017 1 0.0
H2 H+1 0.295 0.105 0.84 1 0.0
