#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:53:41 +0000 (Sat, 20 Feb 2016) $ #$Revision: 176768 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101594.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_2101594 loop_ _publ_author_name 'Abrahams, S. C.' _publ_section_title ; New ferroelectric inorganic materials predicted in point group 4mm ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 790 _journal_page_last 805 _journal_paper_doi 10.1107/S0108768196004594 _journal_volume 52 _journal_year 1996 _chemical_formula_sum 'K1.14 Mg0.57 O4 Si1.43' _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'I 4 -2' _symmetry_space_group_name_H-M 'I 4 m m' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_length_a 8.9570(10) _cell_length_b 8.9570(10) _cell_length_c 5.2810(10) _cell_volume 423.68(10) _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71069 _cod_data_source_file an0527.cif _cod_data_source_block AN0527t _cod_database_code 2101594 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K1 .0 .5000 .291(3) K2 .0 .0 .4924(7) Mg .18050(10) .1805 -.0055 O1 .2144(8) .0 .0640(11) O2 .2889(5) .2889 .1860(14)