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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530353.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_1530353
loop_
_publ_author_name
'Markgraf, S.A.'
'Halliyal, A.'
'Bhalla, A.S.'
'Newnham, R.E.'
'Prewitt, C.T.'
_publ_section_title
;
 X-Ray Structure Refinement and Pyroelectric Investigation of Fresnoite,
 Ba2 Ti Si2 O8
;
_journal_name_full               Ferroelectrics
_journal_page_first              17
_journal_page_last               26
_journal_volume                  62
_journal_year                    1985
_chemical_formula_sum            'Ba2 O8 Si2 Ti'
_chemical_name_systematic        'Ba2 Ti Si2 O8'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.527
_cell_length_b                   8.527
_cell_length_c                   5.2104
_cell_volume                     378.847
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Markgraf_FEROA8_1985_1191.cif
_cod_data_source_block           Ba2O8Si2Ti1
_cod_original_cell_volume        378.8468
_cod_original_formula_sum        'Ba2 O8 Si2 Ti1'
_cod_database_code               1530353
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
O1 O-2 0 0.5 -0.6293 1 0.0
Si1 Si+4 0.128 0.628 -0.5129 1 0.0
O4 O-2 0 0 -0.2096 1 0.0
Ba1 Ba+2 0.32701 0.82701 0 1 0.0
Ti1 Ti+4 0 0 -0.5354 1 0.0
O2 O-2 0.1259 0.6259 -0.2051 1 0.0
O3 O-2 0.2924 0.5772 -0.6429 1 0.0
