#------------------------------------------------------------------------------
#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101583.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_2101583
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            'Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   4.03820(10)
_cell_length_b                   4.03820(10)
_cell_length_c                   4.1057(3)
_cell_volume                     66.952(5)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_[local]_cod_data_source_file    an0527.cif
_[local]_cod_data_source_block   AN0527i
_[local]_cod_chemical_formula_sum_orig 'Mn0.04 Ni0.04 O3 Pb1 Ti0.04 Zr0.44'
_cod_database_code               2101583
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb .0 .0 -.0652
Zr .5 .5 .48190(10)
O1 .5 .5 .043(2)
O2 .5 .0 .5405(10)
_journal_paper_doi 10.1107/S0108768196004594