#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/15/2101597.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_2101597 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 'Ag S2 Yb' _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'I 41b -2' _symmetry_space_group_name_H-M 'I 41 m d' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_length_a 5.356 _cell_length_b 5.356 _cell_length_c 11.803 _cell_volume 338.590 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71069 _cod_data_source_file an0527.cif _cod_data_source_block AN0527w _cod_original_formula_sum 'Ag1 S2 Yb1' _cod_database_code 2101597 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag .0 .0 .02 Yb .0 .0 .52 S1 .0 .0 .21 S2 .0 .0 .75