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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535124.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_1535124
loop_
_publ_author_name
'Belokoneva, E.L.'
'Antipin, M.Yu.'
'Dolgushin, F.M.'
'Mill', B.V.'
'Struchkov, Yu.T.'
_publ_section_title
;
 A study of intermediate structural states of Tl Sb O Ge O4 during phase
 transitions in the temperature range 123-293 K
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1080
_journal_page_last               1086
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'Ge O5 Sb Tl'
_chemical_name_systematic        'Tl Sb O (Ge O4)'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.331
_cell_length_b                   6.659
_cell_length_c                   10.74
_cell_volume                     953.402
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Belokoneva_ZNOKAQ_1994_1431.cif
_cod_data_source_block           Ge1O5Sb1Tl1
_cod_original_cell_volume        953.4019
_cod_original_sg_symbol_Hall     '-P 2a 2bc (-x,z,y)'
_cod_original_formula_sum        'Ge1 O5 Sb1 Tl1'
_cod_database_code               1535124
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
x,-y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y,-z
x-1/2,-y,z
-x,y-1/2,z-1/2
x-1/2,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
Sb2 Sb+5 0 0 0 1 0.0
Tl1 Tl+1 -0.1418 0.4552 0.1541 0.65 0.0
O1 O-2 -0.144 0.081 0.014 1 0.0
O4 O-2 -0.142 0.042 -0.287 1 0.0
O3 O-2 -0.028 -0.208 -0.124 1 0.0
Sb1 Sb+5 0.1307 0.25 0.25 1 0.0
O5 O-2 -0.24 -0.224 -0.129 1 0.0
Ge2 Ge+4 0.0682 0.75 0.25 1 0.0
Ge1 Ge+4 0.25 0.0668 0 1 0.0
O2 O-2 0.018 0.201 -0.134 1 0.0
Tl2 Tl+1 -0.138 0.4679 0.1059 0.35 0.0
