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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/41/4344140.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_4344140
loop_
_publ_author_name
'Rutt, O.J.'
'Hill, T.L.'
'Gal, Z.A.'
'Hayward, M.A.'
'Clarke, S.J.'
_publ_section_title
;
 The cation-deficient Ruddlesden-Popper oxysulfide Y2 Ti2 O5 S2 as a
 layered sulfide: topotactic potassium intercalation to form K Y2 Ti2 O5
 S2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7906
_journal_page_last               7911
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'K O5 S2 Ti2 Y2'
_chemical_name_systematic        'K Y2 Ti2 O5 S2'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.71562
_cell_length_b                   3.71562
_cell_length_c                   14.8682
_cell_volume                     205.268
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Rutt_INOCAJ_2003_1847.cif
_cod_data_source_block           K1O5S2Ti2Y2
_cod_original_cell_volume        205.2679
_cod_original_formula_sum        'K1 O5 S2 Ti2 Y2'
_cod_database_code               4344140
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O1 O-2 0.5 0 0.16716 1 0.0
Y1 Y+3 0.5 0.5 0.25826 1 0.0
O2 O-2 0 0 0 1 0.0
K1 K+1 0.5 0.5 0.5 1 0.0
S1 S-2 0 0 0.34904 1 0.0
Ti1 Ti+3 0 0 0.12244 1 0.0
