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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/1/53/50/1535095.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_1535095
loop_
_publ_author_name
'Sorokina, N.I.'
'Voronkova, V.I.'
'Simonov, V.I.'
'Yanovskii, V.K.'
'Verin, I.A.'
_publ_section_title
;
 Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system.
;
_journal_name_full               Kristallografiya
_journal_page_first              457
_journal_page_last               460
_journal_volume                  41
_journal_year                    1996
_chemical_formula_sum            'Ge0.184 K O5 P Ti0.816'
_chemical_name_systematic        'K (Ge0.184 Ti0.816 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                   12.7252
_cell_length_b                   6.3944
_cell_length_c                   10.4212
_cell_volume                     847.973
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Sorokina_KRISAJ_1996_1538.cif
_cod_data_source_block           Ge0.184K1O5P1Ti0.816
_cod_original_cell_volume        847.9732
_cod_original_formula_sum        'Ge0.184 K1 O5 P1 Ti0.816'
_cod_database_code               1535095
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
K1 K+1 0.10541 0.69602 0.06705 1 0.0
O3 O-2 0.40058 0.19633 0.27465 1 0.0
Ti2 Ti+4 0.24635 0.2605 0.2497 0.721 0.0
Ge1 Ge+4 0.37117 0.49966 0 0.089 0.0
Ge2 Ge+4 0.24635 0.2605 0.2497 0.279 0.0
Ti1 Ti+4 0.37117 0.49966 0 0.911 0.0
O1 O-2 0.48586 0.48595 0.14356 1 0.0
O10 O-2 0.22469 -0.03714 0.63665 1 0.0
P1 P+5 0.49859 0.33527 0.25592 1 0.0
O5 O-2 0.1123 0.31232 0.53743 1 0.0
O7 O-2 0.25431 0.5417 0.62278 1 0.0
O9 O-2 0.22439 0.04727 0.38177 1 0.0
O6 O-2 0.11183 0.6931 0.4799 1 0.0
P2 P+5 0.18093 0.50315 0.50703 1 0.0
O2 O-2 0.51035 0.46433 0.37981 1 0.0
K2 K+1 0.38052 0.78107 0.3144 1 0.0
O8 O-2 0.25429 0.4614 0.39235 1 0.0
O4 O-2 0.59461 0.19179 0.23541 1 0.0
