#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009829.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_9009829 _chemical_name 'Nabokoite' loop_ _publ_author_name 'Pertlik F' 'Zemann J' _journal_name_full "Mineralogy and Petrology" _journal_volume 38 _journal_year 1988 _journal_page_first 291 _journal_page_last 298 _publ_section_title ; The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry Locality: Mount Tolbachik, Kamchatka, USSR ; _chemical_formula_sum 'Cu7 Te S5 O24 K Cl' _cell_length_a 9.833 _cell_length_b 9.833 _cell_length_c 20.5910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1990.900 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.48570 0.27380 0.89520 Cu2 0.25000 0.25000 0.69850 Cu3 0.00000 0.00000 0.00000 Te1 0.25000 0.25000 0.99600 S1 0.56810 0.99370 0.85250 S2 0.75000 0.25000 0.00000 O1 0.42550 0.95440 0.83810 O2 0.66240 0.92970 0.80890 O3 0.58440 0.14210 0.84370 O4 0.60240 0.95600 0.92020 O5 0.65450 0.32940 0.96010 O6 0.36550 0.39120 0.94990 K 0.75000 0.25000 0.75000 Cl 0.25000 0.25000 0.82250