#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/52/1535223.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_1535223
loop_
_publ_author_name
'Strobel, S.'
'Schleid, T.'
_publ_section_title
;
 Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs
 Cu3 M2 Se5 (M = Sm, Gd - Lu)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              706
_journal_page_last               711
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cs Cu3 Er2 Se5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.1031
_cell_length_b                   14.6678
_cell_length_c                   17.2317
_cell_volume                     1037.063
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Strobel_ZAACAB_2004_1371.cif
_cod_data_source_block           Cs1Cu3Er2Se5
_cod_original_formula_sum        'Cs1 Cu3 Er2 Se5'
_cod_database_code               1535223
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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
Se1 Se-2 0 0.23829 0.25 1 0.0
Se2 Se-2 0 0.43784 0.61214 1 0.0
Er1 Er+3 0 0.19248 0.40787 1 0.0
Cs1 Cs+1 0 0.93884 0.25 1 0.0
Cu1 Cu+1 0 0.65542 0.25 1 0.0
Se3 Se-2 0 0.17092 0.57022 1 0.0
Cu2 Cu+1 0 0.41764 0.03441 1 0.0
