#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009411.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_9009411 _chemical_name 'Lollingite' loop_ _publ_author_name 'Ondrus P' 'Vavrin I' 'Skala R' 'Veselovsky F' _journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte" _journal_volume 2001 _journal_year 2001 _journal_page_first 169 _journal_page_last 185 _publ_section_title ; Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement Locality: Dolni Bory, Czech Republic ; _chemical_formula_sum 'Fe As2' _cell_length_a 5.2684 _cell_length_b 5.9631 _cell_length_c 2.9007 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 91.128 _symmetry_space_group_name_H-M 'P n n m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Fe 0.00000 0.00000 0.00000 0.00380 As 0.17660 0.36380 0.00000 0.00380