#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/00/1540094.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_1540094
loop_
_publ_author_name
'Hoenle, W.'
'Kuehn, G.'
'Boehnke, U.C.'
_publ_section_title
;
 The crystal structure of a quenched Cu-rich beta phase with the
 composition Cu14 In16.7 Se32
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              2483
_journal_page_last               2487
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Cu12.32 In18.04 Se32'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.534
_cell_length_b                   11.534
_cell_length_c                   11.534
_cell_volume                     1534.404
_citation_journal_id_ASTM        JMTSAS
_cod_data_source_file            Hoenle_JMTSAS_1989_1860.cif
_cod_data_source_block           Cu12.32In18.04Se32
_cod_original_cell_volume        1534.405
_cod_database_code               1540094
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
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 0.5 0.5 0.5 0.91 0.0
Cu1 Cu+1 0.5 0.5 0 0.57 0.0
Cu3 Cu+1 0 0 0.5 0.82 0.0
In4 In+3 0.2498 0.2498 0.5 0.32 0.0
Se1 Se-2 0.8862 0.8862 0.8862 1 0.0
Se3 Se-2 0.1207 0.1207 0.3856 1 0.0
In3 In+3 0.25 0.25 0.0011 1 0.0
Se4 Se-2 0.3781 0.3781 0.8707 1 0.0
In2 In+3 0.5 0.5 0 0.43 0.0
Se2 Se-2 0.3722 0.3722 0.3722 1 0.0
Cu2 Cu+1 0.2498 0.2498 0.5 0.68 0.0
