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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/1/54/03/1540341.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_1540341
loop_
_publ_author_name
'Lunezheva, E.S.'
'Maksimov, B.A.'
'Mel'nikov, O.K.'
_publ_section_title
;
 Crystal structure of KTi2(PO4)3
;
_journal_name_full               Kristallografiya
_journal_page_first              1119
_journal_page_last               1122
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'K O12 P3 Ti2'
_chemical_name_systematic        'K Ti2 (P O4)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.367
_cell_length_b                   8.367
_cell_length_c                   23.074
_cell_volume                     1398.921
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Lunezheva_KRISAJ_1989_1896.cif
_cod_data_source_block           K1O12P3Ti2
_cod_original_cell_volume        1398.92
_cod_original_formula_sum        'K1 O12 P3 Ti2'
_cod_database_code               1540341
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
P1 P+5 0.7174 0 0.25 1 0.0
O1 O-2 0.2089 0.1545 0.3026 1 0.0
O2 O-2 0.4691 0.3026 0.23489 1 0.0
K1 K+1 0 0 0 1 0.0
Ti1 Ti+4 0 0 0.14965 1 0.0
