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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002234.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_4002234
loop_
_publ_author_name
'Guesdon, A.'
'Raveau, B.'
_publ_section_title
;
 A series of Mo(VI) monophosphates involving the lone pair cation Te(IV):
 A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2239
_journal_page_last               2243
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Mo2 O14 P2 Te Tl2'
_chemical_name_systematic        'Tl2 (Te Mo2 O6 (P O4)2)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.503
_cell_length_b                   8.912
_cell_length_c                   11.3
_cell_volume                     1259.122
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Guesdon_CMATEX_2000_1143.cif
_cod_data_source_block           Mo2O14P2Te1Tl2
_cod_original_formula_sum        'Mo2 O14 P2 Te1 Tl2'
_cod_database_code               4002234
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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
O6 O-2 0.1374 0.024 0.4533 1 0.0
P1 P+5 0.1322 0.1379 -0.0037 1 0.0
Te1 Te+4 0 0.1295 0.25 1 0.0
O2 O-2 0.2707 0.272 0.4502 1 0.0
O4 O-2 0.1605 0.192 0.6559 1 0.0
Tl1 Tl+1 0.31926 0.02867 0.28339 1 0.0
O3 O-2 0.1149 0.444 0.5421 1 0.0
Mo1 Mo+6 0.1212 0.2539 0.5204 1 0.0
O1 O-2 0.0727 0.268 0.3436 1 0.0
O7 O-2 0.132 0.146 0.1319 1 0.0
O5 O-2 -0.0336 0.21 0.5576 1 0.0
