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#$Date: 2015-10-10 01:41:42 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163709 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536108.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_1536108
loop_
_publ_author_name
'Cordier, G.'
'Schwidetzky, C.'
'Schaefer, H.'
_publ_section_title
;
 Darstellung und Struktur von Ba2 As2 S5
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              877
_journal_page_last               883
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'As2 Ba2 S5'
_chemical_name_systematic        'Ba2 As2 S5'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.345
_cell_length_b                   9.256
_cell_length_c                   11.946
_cell_volume                     1917.874
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Cordier_RVCMA8_1983_344.cif
_cod_data_source_block           As2Ba2S5
_cod_database_code               1536108
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-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
S2 S-2 0.3678 0.2349 0.1575 1 0.0
S6 S-2 0.303 0.2451 0.8852 1 0.0
As4 As+3 0.9932 0.2771 0.2515 1 0.0
Ba2 Ba+2 0.3214 0.9875 0.3306 1 0.0
S1 S-2 0.2409 0.5076 0.0766 1 0.0
S10 S-2 0.0744 0.2081 0.9763 1 0.0
As3 As+3 0.2601 0.2699 0.0602 1 0.0
Ba4 Ba+2 0.0729 0.0025 0.4787 1 0.0
S9 S-2 0.4616 0.9511 0.7088 1 0.0
As2 As+3 0.1298 0.7699 0.1785 1 0.0
Ba1 Ba+2 0.0746 0.5056 0.4891 1 0.0
As1 As+3 0.3723 0.1397 0.6375 1 0.0
Ba3 Ba+2 0.3236 0.5013 0.3249 1 0.0
S4 S-2 0.3198 0.7553 0.8525 1 0.0
S5 S-2 0.4981 0.5185 0.7413 1 0.0
S3 S-2 0.5527 0.2512 0.9297 1 0.0
S7 S-2 0.6165 0.2387 0.6572 1 0.0
S8 S-2 0.2118 0.9457 0.0985 1 0.0
