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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/24/7222464.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_7222464
loop_
_publ_author_name
'Lauxmann, P.'
'Schleid, T.'
_publ_section_title
;
 Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der
 Lanthanoide mit Kanalstrukturen
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1149
_journal_page_last               1154
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'Cs Cu3 Er2 S5'
_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                   3.9482
_cell_length_b                   14.109
_cell_length_c                   16.6717
_cell_volume                     928.700
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Lauxmann_ZNBSEN_2001_365.cif
_cod_data_source_block           Cs1Cu3Er2S5
_cod_original_cell_volume        928.6996
_cod_original_formula_sum        'Cs1 Cu3 Er2 S5'
_cod_database_code               7222464
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
S2 S-2 0 0.4366 0.6099 1 0.0
Cu1 Cu+1 0 0.6537 0.25 1 0.0
S1 S-2 0 0.2329 0.25 1 0.0
S3 S-2 0 0.1727 0.5681 1 0.0
Cu2 Cu+1 0 0.41838 0.03916 1 0.0
Er1 Er+3 0 0.19214 0.40745 1 0.0
Cs1 Cs+1 0 0.93556 0.25 1 0.0