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#$Date: 2015-07-13 04:49:54 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149226 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527587.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_1527587
loop_
_publ_author_name
'Janzon, K.H.'
'Schaefer, H.'
'Weiss, A.'
_publ_section_title
;
 Zur Kenntnis der Disilicide der Erdalkalimetalle
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              87
_journal_page_last               99
_journal_volume                  372
_journal_year                    1970
_chemical_formula_sum            'Ba Si2'
_chemical_name_systematic        'Ba Si2'
_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                   8.92
_cell_length_b                   6.75
_cell_length_c                   11.57
_cell_volume                     696.630
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Janzon_ZAACAB_1970_1260.cif
_cod_data_source_block           Ba1Si2
_cod_original_cell_volume        696.6297
_cod_chemical_formula_sum_orig   'Ba1 Si2'
_cod_database_code               1527587
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
Si3 Si 0.19 0.078 0.147 1 0.0
Si2 Si 0.424 0.25 0.091 1 0.0
Ba2 Ba 0.893 0.25 0.095 1 0.0
Si1 Si 0.205 0.25 0.969 1 0.0
Ba1 Ba 0.014 0.25 0.694 1 0.0