#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/6/00/00/6000014.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_6000014 loop_ _publ_author_name 'Huang, B.' 'Gingl, F.' 'Fauth, F.' 'Hewat, A.' 'Yvon, K.' _publ_section_title ; New tetragonal metal hydrides BaMg2TH8 (T=Ru, Os) containing octahedral TH64- complex anions and hydride anions ; _journal_name_full 'J. Alloys Compd.' _journal_page_first 13 _journal_page_last 17 _journal_paper_doi 10.1016/S0925-8388(96)02501-7 _journal_volume 248 _journal_year 1997 _chemical_formula_sum 'Ba D8 Mg2 Os' _space_group_name_H-M_alt 'P 42/m m c' _symmetry_space_group_name_H-M 'P 42/m m c' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 4.9672 _cell_length_b 4.9672 _cell_length_c 10.8210 _cell_volume 266.99 _[local]_cod_text ; HUANG B. , GINGL F. , FAUTH F. , HEWAT A. , YVON K. - NEW TETRAGONAL METAL HYDRIDES BAMG2TH8 (T=RU, OS) CONTAINING OCTAHEDRAL TH64- COMPLEX ANIONS AND HYDRIDE ANIONS - J. alloys compd. 248 (1997) 13-17. ; _cod_database_code 6000014 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 Ba2+ 0 0.5 0.5 Mg1 Mg2+ 0 0.5 0.1399 Os1 Os2+ 0 0 0.25 D1 D1- 0.2443 0.2443 0.25 D2 D1- 0.2533 0.5 0 D3 D1- 0 0 0.0933