#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101579.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_2101579
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            'As2 Ba Ge2'
_[local]_cod_chemical_formula_sum_orig 'As2 Ba1 Ge2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4c -2'
_symmetry_space_group_name_H-M   'P 42 m c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   7.618(5)
_cell_length_b                   7.618(5)
_cell_length_c                   8.500(5)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_[local]_cod_data_source_file    an0527.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 .0 .0 -.0121
Ba2 .500 .0 .0121(8)
Ge1 .3351(5) .5000 .8543(8)
Ge2 .5000 .1632(5) .5947(8)
As1 .2290(3) .2453(4) .2437(7)
_cod_database_code 2101579