#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009255.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_9009255 _chemical_name 'Koritnigite' loop_ _publ_author_name 'Keller P' 'Hess H' 'Riffel H' _journal_name_full "Neues Jahrbuch fur Mineralogie, Abhandlungen" _journal_volume 138 _journal_year 1980 _journal_page_first 316 _journal_page_last 332 _publ_section_title ; Die kristallstruktur von koritnigit, Zn[H2O|HOAsO3] Locality: Tsumeb, Namibia ; _chemical_formula_sum 'Zn As O5' _cell_length_a 7.948 _cell_length_b 15.829 _cell_length_c 6.668 _cell_angle_alpha 90.86 _cell_angle_beta 96.56 _cell_angle_gamma 90.05 _cell_volume 833.305 _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz '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 Zn1 0.09620 0.06410 0.37500 0.00988 Zn2 0.13600 0.45920 0.36260 0.01153 Zn3 0.40460 0.56410 0.12940 0.01013 Zn4 0.36400 0.95970 0.13510 0.01178 As1 0.08690 0.10490 0.88400 0.00912 As2 0.18050 0.41750 0.86040 0.00874 As3 0.41460 0.60490 0.62270 0.00912 As4 0.31810 0.91710 0.63410 0.00874 O1 0.05940 0.04610 0.67610 0.01317 O2 0.17270 0.05210 0.08780 0.01292 O3 0.21940 0.17900 0.43610 0.01697 O4 0.32830 0.55250 0.41450 0.01355 O5 0.09020 0.47520 0.66660 0.01494 O6 0.38540 0.36460 0.42680 0.01596 O7 0.03940 0.33870 0.35740 0.02343 O8 0.19620 0.47520 0.07400 0.01191 O9 0.28400 0.67940 0.07540 0.01621 O10 0.30440 0.97690 0.42500 0.01064 O11 0.45960 0.83990 0.13190 0.02140 O12 0.11330 0.86440 0.06450 0.01773 O13 0.19920 0.19160 0.84080 0.01684 O14 0.05140 0.33200 0.88980 0.01824 O15 0.36200 0.37300 0.80480 0.01292 O16 0.44180 0.54400 0.82710 0.01267 O17 0.30380 0.69130 0.67090 0.01684 O18 0.13540 0.87340 0.68740 0.01456 O19 0.40950 0.97280 0.83150 0.01482 O20 0.44490 0.83120 0.59720 0.01963