#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/61/1536115.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_1536115
loop_
_publ_author_name
'Fenner, J.'
'Rabenau, A.'
_publ_section_title
;
 Die Kristallstruktur von Cu Te I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  426
_journal_year                    1976
_chemical_formula_sum            'Cu1.035 I Te'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   17.17
_cell_length_b                   17.17
_cell_length_c                   4.876
_cell_volume                     1437.488
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fenner_ZAACAB_1976_623.cif
_cod_data_source_block           Cu1.035I1Te1
_cod_original_formula_sum        'Cu1.035 I1 Te1'
_cod_database_code               1536115
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
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
Cu4 Cu+1 0 0.176 0.612 0.2 0.0
Te1 Te 0.14746 0 0.5 1 0.0
Cu3 Cu+1 0.1388 0.1112 0.875 0.52 0.0
Cu1 Cu+1 0 0.25 0.375 0.69 0.0
Cu2 Cu+1 0 0.25 0.875 0.57 0.0
I1 I-1 0 0.11183 0.1212 1 0.0
