#------------------------------------------------------------------------------
#$Date: 2015-10-21 20:02:56 +0300 (Wed, 21 Oct 2015) $
#$Revision: 169493 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/02/2020271.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020271
loop_
_publ_author_name
'Lemoine, P.'
'Tomas, A.'
'Vovan, T.'
'Carre, D.'
'Guittard, M.'
_publ_section_title
;
 Structure du sulfure de thulium et de potassium K2 Tm23.33 S36
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              350
_journal_page_last               353
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'K2 S36 Tm23.33'
_chemical_name_systematic        'K2 Tm23.33 S36'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   20.899
_cell_length_b                   20.899
_cell_length_c                   3.863
_cell_volume                     1461.189
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Lemoine_ACSCEE_1989_697.cif
_cod_data_source_block           K2S36Tm23.33
_cod_database_code               2020271
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
S5 S-2 0.1446 0.5025 0.25 1 0.0
S6 S-2 0.0388 0.177 0.25 1 0.0
S2 S-2 0.3564 0.2356 0.25 1 0.0
S4 S-2 0.2391 0.3136 0.25 1 0.0
Tm2 Tm+3 0.23367 0.10159 0.25 1 0.0
S3 S-2 0.5204 0.21 0.25 1 0.0
Tm1 Tm+3 0.0213 0.3463 0.25 0.889 0.0
K1 K+1 0.3333 0.6667 0.25 1 0.0
Tm3 Tm+3 0.9021 0.4471 0.25 1 0.0
S1 S-2 0.0242 0.5843 0.25 1 0.0
Tm4 Tm+3 0.2263 0.4366 0.25 1 0.0
