#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/65/1536567.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_1536567
loop_
_publ_author_name
'Pfitzner, A.'
_publ_section_title
;
 Cu3 Sb Se3: Synthese und Kristallstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              685
_journal_page_last               688
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'Cu3 Sb Se3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9865
_cell_length_b                   10.6138
_cell_length_c                   6.8372
_cell_volume                     579.570
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pfitzner_ZAACAB_1995_1694.cif
_cod_data_source_block           Cu3Sb1Se3
_cod_original_cell_volume        579.5697
_cod_original_formula_sum        'Cu3 Sb1 Se3'
_cod_database_code               1536567
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Sb1 Sb+3 0.2511 0.25 0.8885 1 0.0
Se1 Se-2 0.006 0.25 0.1357 1 0.0
Cu1 Cu+1 0.0913 0.0427 0.2446 1 0.0
Cu2 Cu+1 0.1912 0.25 0.4309 1 0.0
Se2 Se-2 0.1611 0.0658 0.6553 1 0.0
