#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu 27 de Sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106887.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_2106887
loop_
_publ_author_name
'Marsh, R.E.'
'Herbstein, F.H.'
_publ_section_title
;
 Some additional changes in space groups of published crystal structures
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              280
_journal_page_last               287
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Ce S2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.103
_cell_length_b                   16.221
_cell_length_c                   4.093
_cell_volume                     537.979
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Marsh_ASBSDK_1983_584.cif
_cod_data_source_block           Ce1S2
_cod_original_cell_volume        537.9788
_cod_original_formula_sum        'Ce1 S2'
_cod_database_code               2106887
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
S2 S-2 0.1127 0.25 0.645 1 0.0
S1 S-2 0.1251 0.0671 0.2455 1 0.0
Ce1 Ce+4 0.1276 -0.1116 0.227 1 0.0
S3 S-2 0.337 0.25 0.1685 1 0.0
