#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/42/1524296.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_1524296
loop_
_publ_author_name
'Effenberger, H.'
'Pertlik, F.'
_publ_section_title
;
 Ein Beitrag zur Kristallstruktur von alpha-Cu Se (Klockmannit)
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              197
_journal_page_last               205
_journal_volume                  1981
_journal_year                    1981
_chemical_formula_sum            'Cu0.87 Se'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.939
_cell_length_b                   3.939
_cell_length_c                   17.25
_cell_volume                     231.788
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Effenberger_NJMMAW_1981_451.cif
_cod_data_source_block           Cu0.87Se1
_cod_original_cell_volume        231.7884
_cod_original_formula_sum        'Cu0.87 Se1'
_cod_database_code               1524296
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Se3 Se-1 0 0 0.0685 1 0.0
Cu3 Cu+2 0 0 0.25 0.1 0.0
Se2 Se-1 0.412 0.824 0.25 0.25 0.0
Cu4 Cu+2 0.3333 0.6667 0.1117 1 0.0
Cu2 Cu+2 0.751 0.502 0.25 0.12 0.0
Cu1 Cu+2 0.6667 0.3333 0.25 0.15 0.0
Se1 Se-1 0.3333 0.6667 0.25 0.25 0.0
