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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/1/53/59/1535958.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_1535958
loop_
_publ_author_name
'Vegas, A.'
'Grzechnik, A.'
'Muehle, C.'
'Hanfland, M.'
'Jansen, M.'
_publ_section_title
;
 Antifluorite to (Ni2 In)-type phase transition in K2 S at high pressures
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1077
_journal_page_last               1081
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'K2 S'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5294
_cell_length_b                   5.09396
_cell_length_c                   8.7716
_cell_volume                     291.748
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Vegas_SSSCFJ_2002_676.cif
_cod_data_source_block           K2S1
_cod_original_cell_volume        291.7478
_cod_original_formula_sum        'K2 S1'
_cod_database_code               1535958
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x+1/2,-y,-z
-x,y,-z
-x,-y,-z
x-1/2,y,-z
-x-1/2,y,z
x,-y,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
K4 K+1 0.25 0.5 0.843 1 0.0
K2 K+1 0 0.5 0.5 1 0.0
K1 K+1 0 0 0 1 0.0
S2 S-2 0.25 0 0.659 1 0.0
S1 S-2 0.25 0.5 0.159 1 0.0
K3 K+1 0.25 0 0.343 1 0.0
