#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$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 loop_ _publ_author_name 'Ondrus P' 'Vavrin I' 'Skala R' 'Veselovsky F' _publ_section_title ; Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement Locality: Dolni Bory, Czech Republic ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 169 _journal_page_last 185 _journal_volume 2001 _journal_year 2001 _chemical_formula_sum 'As2 Fe' _[local]_cod_chemical_formula_sum_orig 'Fe As2' _chemical_name_mineral Lollingite _symmetry_space_group_name_H-M 'P n n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.2684 _cell_length_b 5.9631 _cell_length_c 2.9007 _cell_volume 91.128 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_U_iso_or_equiv Fe 0.00000 0.00000 0.00000 0.00380 As 0.17660 0.36380 0.00000 0.00380