#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009282.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_9009282 loop_ _publ_author_name 'Edenharter, A.' 'Nowacki, W.' _publ_section_title ; Die kristallstruktur von heteromorphit Pb7Sb8S19 ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 193 _journal_page_last 195 _journal_volume 1975 _journal_year 1975 _chemical_formula_sum 'Pb7 S19 Sb8' _chemical_name_mineral Heteromorphite _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.92 _cell_angle_gamma 90 _cell_length_a 13.628 _cell_length_b 11.943 _cell_length_c 21.285 _cell_volume 3463.883 _exptl_crystal_density_diffrn 5.817 _[local]_cod_chemical_formula_sum_orig 'Pb7 Sb8 S19' _cod_database_code 9009282 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,z x,-y,1/2+z 1/2+x,1/2-y,1/2+z -x,y,1/2-z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2-x,1/2-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.50000 0.00440 0.25000 Pb2 0.35010 0.27870 0.42500 Pb3 0.08070 0.17370 0.36400 Pb4 0.19710 0.06950 0.18780 Sb1 0.37560 0.39480 0.00830 Sb2 0.39040 -0.00790 0.05460 Sb3 0.15290 0.38310 0.10390 Sb4 0.41460 0.31200 0.17690 S1 0.50000 0.44660 0.25000 S2 0.17720 0.38960 0.35750 S3 0.08300 0.27640 0.18930 S4 0.22600 0.10970 0.47430 S5 0.28590 0.45840 0.17640 S6 0.27930 0.16680 0.07860 S7 0.35500 0.18510 0.25500 S8 0.04260 -0.00180 0.08520 S9 0.00900 0.27720 0.47530 S10 0.45520 0.05220 0.38200