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#$Date: 2015-10-10 03:13:26 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164014 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536340.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_1536340
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 New phases in the systems Ca - Te - O and Cd - Te - O : the calcium
 tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2
 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              29
_journal_page_last               37
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ca4 O14 Te5'
_chemical_name_systematic        'Ca4 (Te5 O14)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.9536
_cell_length_b                   16.556
_cell_length_c                   15.779
_cell_volume                     2861.487
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Weil_SSSCFJ_2004_1013.cif
_cod_data_source_block           Ca4O14Te5
_cod_database_code               1536340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
O7 O-2 0.24957 0.25924 0.4467 1 0.0
Te4 Te+4 0.375695 0.012757 0.102563 1 0.0
O9 O-2 0.25934 0.4107 0.3566 1 0.0
Ca4 Ca+2 0.38527 0.01233 0.41043 1 0.0
Te3 Te+4 0.372404 0.346397 0.414636 1 0.0
O6 O-2 0.24382 0.11417 0.34203 1 0.0
O13 O-2 0.46856 0.41957 0.1654 1 0.0
O11 O-2 0.28562 0.4181 0.03405 1 0.0
O8 O-2 0.25717 0.12351 0.12251 1 0.0
Te5 Te+4 0.387208 0.346282 0.092312 1 0.0
O5 O-2 0.19062 0.48586 0.20662 1 0.0
Te1 Te+4 0.102704 0.158717 0.090344 1 0.0
O1 O-2 0.00519 0.4286 0.13005 1 0.0
O2 O-2 0.01531 0.10527 0.17522 1 0.0
Ca1 Ca+2 0.11615 0.3544 0.244 1 0.0
Ca2 Ca+2 0.12329 0.01002 0.26409 1 0.0
O3 O-2 0.05856 0.08065 0.01153 1 0.0
Te2 Te+4 0.136511 0.176225 0.407596 1 0.0
O14 O-2 0.4903 0.08726 0.14747 1 0.0
O10 O-2 0.27848 0.29942 0.16953 1 0.0
O12 O-2 0.43814 0.28276 0.33005 1 0.0
Ca3 Ca+2 0.38035 0.18133 0.23761 1 0.0
O4 O-2 0.07042 0.23945 0.32146 1 0.0
