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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/8/10/38/8103856.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_8103856
loop_
_publ_author_name
'Glaum, R.'
'Gruehn, R.'
_publ_section_title
;
 Beitraege zum thermischen Verhalten wasserfreier Phosphate: VI.
 Einkristallstrukturverfeinerung der Metall(III)-orthophosphate TiPO4 und
 VPO4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              41
_journal_page_last               47
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'O4 P Ti'
_chemical_name_systematic        'Ti P O4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2985
_cell_length_b                   7.911
_cell_length_c                   6.3473
_cell_volume                     266.056
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Glaum_ZEKRDZ_1992_11.cif
_cod_data_source_block           O4P1Ti1
_cod_original_cell_volume        266.0562
_cod_original_formula_sum        'O4 P1 Ti1'
_cod_database_code               8103856
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
O1 O-2 0.2408 0.463 0.25 1 0.0
P1 P+5 0 0.3501 0.25 1 0.0
Ti1 Ti+3 0 0 0 1 0.0
O2 O-2 0 0.243 0.0509 1 0.0
