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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/2/10/69/2106942.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_2106942
loop_
_publ_author_name
'van Smaalen, S.'
'Meetsma, A.'
'Wiegers, G.A.'
'de Boer, J.L.'
_publ_section_title
;
 Determination of the modulated structure of the inorganic misfit layer
 compound (Pb S)1.18 Ti S2
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              314
_journal_page_last               325
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'S2 Ti'
_chemical_name_systematic        '(Pb S)1.18 Ti S2'
_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                 95.29
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.88
_cell_length_b                   3.409
_cell_length_c                   11.76
_cell_volume                     234.724
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            vanSmaalen_ASBSDK_1991_6.cif
_cod_data_source_block           S2Ti1
_cod_original_cell_volume        234.7242
_cod_original_formula_sum        'S2 Ti1'
_cod_database_code               2106942
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
Ti1 Ti+4 0 0 0 1 0.0
S1 S-2 0.1888 0.5 0.1221 1 0.0
