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#$Date: 2015-10-09 13:23:03 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161781 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/47/1534789.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_1534789
loop_
_publ_author_name
'Gruss, M.'
'Glaum, R.'
_publ_section_title
;
 Beitraege zur Kristallchemie und zum thermischen Verhalten von
 wasserfreien Phosphaten. XXIV. Darstellung, Kristallstruktur und
 Eigenschaften des Kupfer(II)-Indium(III)-Orthophosphats Cu3 In2 (P O4)4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1377
_journal_page_last               1382
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Cu3 In2 O16 P4'
_chemical_name_systematic        'Cu3 In2 (P O4)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.393
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9067
_cell_length_b                   8.8271
_cell_length_c                   7.8815
_cell_volume                     587.991
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Gruss_ZAACAB_2001_217.cif
_cod_data_source_block           Cu3In2O16P4
_cod_original_cell_volume        587.9912
_cod_database_code               1534789
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
In1 In+3 0.75512 -0.00072 0.25288 1 0.0
O7 O-2 0.2379 0.6345 0.0109 1 0.0
O2 O-2 0.5941 0.5843 0.1663 1 0.0
Cu2 Cu+2 0.59537 0.37254 0.11252 1 0.0
P2 P+5 0.40041 0.16336 0.15964 1 0.0
O5 O-2 0.8877 0.3736 0.3104 1 0.0
O4 O-2 0.0619 0.3595 0.1052 1 0.0
O1 O-2 0.9113 0.135 0.156 1 0.0
O6 O-2 0.266 0.11 0.0009 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0.4035 0.3384 0.1903 1 0.0
P1 P+5 0.91272 0.31087 0.14208 1 0.0
O8 O-2 0.5629 0.3524 0.6203 1 0.0
