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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/8/10/39/8103915.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_8103915
loop_
_publ_author_name
'Somer, M.'
'Carrillo-Cabrera, W.'
'Peters, K.'
'von Schnering, H.G.'
'Cordier, G.'
_publ_section_title
;
 Crystal structure of tribarium triarsenidoindate Ba3 In As3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              632
_journal_page_last               632
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'As3 Ba3 In'
_chemical_name_systematic        'Ba3 (In As3)'
_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            4
_cell_length_a                   13.84
_cell_length_b                   4.601
_cell_length_c                   14.45
_cell_volume                     920.145
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1996_1910.cif
_cod_data_source_block           As3Ba3In1
_cod_original_cell_volume        920.1448
_cod_original_formula_sum        'As3 Ba3 In1'
_cod_database_code               8103915
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
Ba2 Ba+2 0.36294 0.25 0.00044 1 0.0
Ba1 Ba+2 0.27675 0.25 0.29823 1 0.0
As2 As-3 0.73452 0.25 0.87234 1 0.0
In1 In+3 0.55533 0.25 0.7967 1 0.0
Ba3 Ba+2 0.57893 0.25 0.39213 1 0.0
As3 As-3 0.04158 0.25 0.35 1 0.0
As1 As-3 0.58961 0.25 0.61514 1 0.0
