#------------------------------------------------------------------------------ #$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $ #$Revision: 903 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9012608.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9012608 loop_ _publ_author_name 'Rozhdestvenskaya, I. V.' 'Zayakina, N. V.' 'Samusikov, V. P.' _publ_section_title ; Crystal structure features of minerals from a series of tetrahedrite-freiesbergite Sample: 2 ; _journal_name_full 'Mineralogiceskij Zhurnal' _journal_page_first 9 _journal_page_last 17 _journal_volume 15 _journal_year 1993 _chemical_formula_sum 'Ag2.88 Cu7.02 Fe0.84 S13 Sb4 Zn1.26' _chemical_name_mineral Tennantite _space_group_IT_number 217 _symmetry_space_group_name_Hall 'I -4 2 3' _symmetry_space_group_name_H-M 'I -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.529 _cell_length_b 10.529 _cell_length_c 10.529 _cell_volume 1167.243 _[local]_cod_data_source_file 12630.cif _[local]_cod_data_source_block global _[local]_cod_chemical_formula_sum_orig 'Cu7.02 Ag2.88 Zn1.26 Fe.84 Sb4 S13' loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,1/2+z -z,x,-y 1/2-z,1/2+x,1/2-y -y,z,-x 1/2-y,1/2+z,1/2-x -x,y,-z 1/2-x,1/2+y,1/2-z x,-z,-y 1/2+x,1/2-z,1/2-y z,-y,-x 1/2+z,1/2-y,1/2-x y,-x,-z 1/2+y,1/2-x,1/2-z x,z,y 1/2+x,1/2+z,1/2+y z,y,x 1/2+z,1/2+y,1/2+x y,x,z 1/2+y,1/2+x,1/2+z -z,-x,y 1/2-z,1/2-x,1/2+y -y,-z,x 1/2-y,1/2-z,1/2+x -x,-y,z 1/2-x,1/2-y,1/2+z z,-x,-y 1/2+z,1/2-x,1/2-y y,-z,-x 1/2+y,1/2-z,1/2-x x,-y,-z 1/2+x,1/2-y,1/2-z -x,z,-y 1/2-x,1/2+z,1/2-y -z,y,-x 1/2-z,1/2+y,1/2-x -y,x,-z 1/2-y,1/2+x,1/2-z -x,-z,y 1/2-x,1/2-z,1/2+y -z,-y,x 1/2-z,1/2-y,1/2+x -y,-x,z 1/2-y,1/2-x,1/2+z z,x,y 1/2+z,1/2+x,1/2+y y,z,x 1/2+y,1/2+z,1/2+x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv CuM2 0.21540 0.00000 0.00000 0.52000 0.05851 AgM2 0.21540 0.00000 0.00000 0.48000 0.05851 CuM1 0.25000 0.50000 0.00000 0.65000 0.01748 ZnM1 0.25000 0.50000 0.00000 0.21000 0.01748 FeM1 0.25000 0.50000 0.00000 0.14000 0.01748 Sb 0.26820 0.26820 0.26820 1.00000 0.01558 S1 0.12030 0.12030 0.36580 1.00000 0.01520 S2 0.00000 0.00000 0.00000 1.00000 0.11145