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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/19/1521910.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_1521910
loop_
_publ_author_name
'Schwunck, H.M.'
'Jung, W.'
'Moser, P.'
_publ_section_title
;
 Das Kupfer(II) - indium - oxidphosphat Cu In O P O4 mit alpha-(Fe2 O P
 O4)-Struktur, dargestellt durch die Oxidation einer Cu / In / P -
 Legierung in Sauerstoffstrom
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              407
_journal_page_last               410
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Cu In O5 P'
_chemical_name_systematic        'Cu In O (P O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.745
_cell_length_b                   6.61
_cell_length_c                   7.306
_cell_volume                     374.027
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schwunck_ZAACAB_1999_876.cif
_cod_data_source_block           Cu1In1O5P1
_cod_original_cell_volume        374.0267
_cod_original_formula_sum        'Cu1 In1 O5 P1'
_cod_database_code               1521910
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
O1 O-2 0.1236 0.9563 0.2687 1 0.0
O2 O-2 0.0637 0.25 0.954 1 0.0
Cu1 Cu+2 0 0 0.5 1 0.0
P1 P+5 0.1089 0.75 0.142 1 0.0
O4 O-2 0.4282 0.25 0.1265 1 0.0
O3 O-2 0.2384 0.25 0.5096 1 0.0
In1 In+3 0.173 0.25 0.2118 1 0.0
