#------------------------------------------------------------------------------
#$Date: 2015-10-01 16:22:08 +0300 (Thu, 01 Oct 2015) $
#$Revision: 159399 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533265.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_1533265
loop_
_publ_author_name
'Yao, J.-Y.'
'Deng, B.'
'Ellis, D.E.'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses, structures, physical properties and electronic structures of K
 Ln2 Cu S4 (Ln = Dy, Nd, Sm, Tb, Ho) and K2 Ln4 Cu4 S9 (Ln = Dy, Ho)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              5
_journal_page_last               12
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'Cu4 Ho4 K2 S9'
_chemical_name_systematic        'K2 Ho4 Cu4 S9'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.666
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.676
_cell_length_b                   3.936
_cell_length_c                   15.795
_cell_volume                     800.632
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yao_JSSCBI_2003_253.cif
_cod_data_source_block           Cu4Ho4K2S9
_cod_original_cell_volume        800.6317
_cod_database_code               1533265
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Cu1 Cu+1 0.24616 0 0.22889 1 0.0
Ho2 Ho+3 0.2334 0 0.60525 1 0.0
S1 S-2 0.13991 0 0.42452 1 0.0
Ho1 Ho+3 0.65436 0 0.054038 1 0.0
K1 K+1 0.02912 0 0.76952 1 0.0
S3 S-2 0.38927 0 0.37266 1 0.0
S4 S-2 0.64929 0 0.22106 1 0.0
S2 S-2 0.29974 0 0.10224 1 0.0
S5 S-2 0 0 0 1 0.0
Cu2 Cu+1 0.43268 0 0.54175 1 0.0
