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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/1/53/16/1531632.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_1531632
loop_
_publ_author_name
'Kutoglu, A.'
'Roesler, A.'
'Reinen, D.'
_publ_section_title
;
 Die Cu Al In O4-Struktur - roentgenographische und spektroskopische
 Untersuchungen an Verbindungen M(II) Me(III) In O4 (M(II). Mn(II) -
 Zn(II), Me(III). Al, Ga)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              130
_journal_page_last               146
_journal_volume                  456
_journal_year                    1979
_chemical_formula_sum            'Al Cu In O4'
_chemical_name_systematic        'Cu Al In O4'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.728
_cell_length_b                   3.309
_cell_length_c                   8.352
_cell_volume                     154.121
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kutoglu_ZAACAB_1979_855.cif
_cod_data_source_block           Al1Cu1In1O4
_cod_original_cell_volume        154.1209
_cod_original_formula_sum        'Al1 Cu1 In1 O4'
_cod_database_code               1531632
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z
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
Cu2 Cu+2 0.4255 0 0.2774 0.5 0.0
Cu1 Cu+2 0 0 0 0.5 0.0
Al2 Al+3 0.4255 0 0.2774 0.5 0.0
O3 O-2 0.501 0 0.509 1 0.0
O1 O-2 0.315 0 0.03 1 0.0
O2 O-2 0.057 0 0.251 1 0.0
O4 O-2 0.921 0 0.769 1 0.0
Al1 Al+3 0 0 0 0.5 0.0
In1 In+3 0.209 0 0.6394 1 0.0
