#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528745.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_1528745
loop_
_publ_author_name
'Morimoto, N.'
'Koto, K.'
_publ_section_title
;
 Crystal structure of umangite, Cu3 Se2
;
_journal_name_full               Science
_journal_page_first              345
_journal_page_last               345
_journal_volume                  153
_journal_year                    1966
_chemical_formula_sum            'Cu3 Se2'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.406
_cell_length_b                   6.406
_cell_length_c                   4.279
_cell_volume                     175.597
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            Morimoto_SCIEAS_1966_383.cif
_cod_data_source_block           Cu3Se2
_cod_original_cell_volume        175.5966
_cod_database_code               1528745
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+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
Cu1 Cu+2 0 0 0 1 0.0
Se1 Se-2 0.275 0.225 0.25 1 0.0
Cu2 Cu+1 0.147 0.353 0.75 1 0.0
