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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014052.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014052
loop_
_publ_author_name
'Adams, R. D.'
'Layland, R.'
'Payen, C.'
'Datta, T.'
_publ_section_title
;
 Synthesis, structural analyses, and unusual magnetic properties of
 Ba2CoSi2O7 and BaCo2Si2O7
 Note: Compound 1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/ic960167m
_journal_volume                  35
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba2 Co O7 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.365
_cell_angle_gamma                90
_cell_length_a                   8.450
_cell_length_b                   10.729
_cell_length_c                   8.474
_cell_volume                     715.458
_database_code_amcsd             0019236
_exptl_crystal_density_diffrn    4.658
_cod_original_formula_sum        'Ba2 Co Si2 O7'
_cod_database_code               9014052
_amcsd_formula_title             Ba2CoSi2O7
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.27393 0.45776 0.02623 0.00874
Co 0.00000 0.25820 0.25000 0.00887
Si 0.88620 0.28250 -0.13800 0.00735
O1 0.00000 0.33290 -0.25000 0.01520
O2 0.69980 0.34360 -0.23600 0.01013
O3 0.97270 0.35250 0.04320 0.01140
O4 0.89070 0.13240 -0.13220 0.01140