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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/1/54/21/1542181.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_1542181
loop_
_publ_author_name
'Uchikawa, H.'
'Tsukiyama, K.'
_publ_section_title
;
 Indexing of the Powder X-ray Diffraction Patterns and Precise
 Determination of the Crystal Structure of Ba₂SiO₄
;
_journal_issue                   837
_journal_name_full               'Journal of the Ceramic Association, Japan'
_journal_page_first              106
_journal_page_last               110
_journal_paper_doi               10.2109/jcersj1950.73.837_106
_journal_volume                  73
_journal_year                    1965
_chemical_formula_sum            'Ba2 O4 Si'
_chemical_name_systematic        'Ba2 (Si O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.772
_cell_length_b                   10.225
_cell_length_c                   7.513
_cell_volume                     443.407
_citation_journal_id_ASTM        JCAJA6
_cod_data_source_file            Uchikawa_JCAJA6_1965_734.cif
_cod_data_source_block           Ba2O4Si1
_cod_original_cell_volume        443.4075
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Ba2 O4 Si1'
_cod_database_code               1542181
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-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
O1 O-2 0.25 0.4322 0.0488 1 0.0
O2 O-2 0.25 0.6019 0.3236 1 0.0
Ba1 Ba+2 0.25 0.0761 0.1768 1 0.0
O3 O-2 0.0324 0.3715 0.3523 1 0.0
Si1 Si+4 0.25 0.4445 0.2624 1 0.0
Ba2 Ba+2 0.25 0.7046 -0.0123 1 0.0
