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#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101585.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101585
loop_
_publ_author_name
'Abrahams, S. C.'
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba6 Co Nb9 O30'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   12.589
_cell_length_b                   12.589
_cell_length_c                   4.009
_cell_volume                     635.358
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_[local]_cod_data_source_file    an0527.cif
_[local]_cod_data_source_block   AN0527k
_[local]_cod_chemical_formula_sum_orig 'Ba6 Co1 Nb9 O30'
_cod_database_code               2101585
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 .0 .0 .0
Ba2 .1719 .6719 .0005
Co .0 .5 .5438
Nb2 .0749 .2142 .4981
O1 .0 .5 .027
O2 .076 .209 .026
O3 .345 .008 .466
O4 .282 .782 .500
O5 .141 .069 .500
_journal_paper_doi 10.1107/S0108768196004594