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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/1/53/61/1536133.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_1536133
loop_
_publ_author_name
'Voronkova, V.I.'
'Sorokina, N.I.'
'Li, D.Y.'
'Yanovskii, V.K.'
'Simonov, V.I.'
'Furmanova, N.G.'
'Verin, I.A.'
_publ_section_title
;
 Atomic structure and electrophysical characteristics of K0.59Tl0.41TiOPO4
 single crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              430
_journal_page_last               433
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'K0.59 O5 P Ti Tl0.41'
_chemical_name_systematic        '(K0.59 Tl0.41) Ti O (P O4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.879
_cell_length_b                   6.434
_cell_length_c                   10.588
_cell_volume                     877.359
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Voronkova_KRISAJ_1994_1405.cif
_cod_data_source_block           K0.59O5P1Ti1Tl0.41
_cod_original_cell_volume        877.3586
_cod_original_formula_sum        'K0.59 O5 P1 Ti1 Tl0.41'
_cod_database_code               1536133
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
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 0.2524 0.5393 0.6288 1 0.0
O2 O-2 0.5111 0.4662 0.3821 1 0.0
K1 K+1 0.1028 0.6925 0.0746 0.379 0.0
K2 K+1 0.3822 0.7838 0.3238 0.799 0.0
O3 O-2 0.4018 0.1986 0.28 1 0.0
P1 P+5 0.4991 0.3358 0.2603 1 0.0
O5 O-2 0.1147 0.3068 0.5404 1 0.0
Ti1 Ti+4 0.3724 0.4968 0 1 0.0
O6 O-2 0.1126 0.6899 0.4857 1 0.0
O1 O-2 0.4861 0.4829 0.1482 1 0.0
P2 P+5 0.1816 0.4999 0.5129 1 0.0
Tl1 Tl+1 0.1028 0.6925 0.0746 0.621 0.0
Tl2 Tl+1 0.3822 0.7838 0.3238 0.201 0.0
O8 O-2 0.254 0.4577 0.4001 1 0.0
O10 O-2 0.2234 0.0373 0.6444 1 0.0
O4 O-2 0.5956 0.1956 0.2426 1 0.0
Ti2 Ti+4 0.2478 0.2668 0.2528 1 0.0
O9 O-2 0.2237 0.0386 0.3902 1 0.0
