#------------------------------------------------------------------------------ #$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9012342.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_9012342 loop_ _publ_author_name 'Brodersen, K.' 'Gobel, G.' 'Liehr, G.' _publ_section_title ; Terlinguait Hg4O2Cl2 - ein mineral mit ungewohnlichen Hg3-baueinheiten ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 145 _journal_page_last 153 _journal_volume 575 _journal_year 1989 _chemical_formula_sum 'Cl Hg2 O' _chemical_name_mineral Terlinguaite _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 105.59 _cell_angle_gamma 90 _cell_length_a 11.953 _cell_length_b 5.904 _cell_length_c 9.466 _cell_volume 643.444 _exptl_crystal_density_diffrn 9.345 _[local]_cod_chemical_formula_sum_orig 'Hg2 O Cl' _cod_database_code 9012342 _amcsd_database_code AMCSD#0013009 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_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Hg1 0.01080 0.01990 0.01540 -0.00060 0.00160 0.00020 Hg2 0.01830 0.01450 0.01350 0.00000 0.00260 0.00000 Hg3 0.02510 0.01800 0.01320 -0.00110 0.00200 -0.00270 O 0.01400 0.01970 0.01350 0.00060 0.00290 0.00310 Cl 0.01930 0.03110 0.01880 -0.00040 0.00280 0.00190 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Hg1 0.25000 0.25000 0.00000 Hg2 0.00000 0.59080 0.25000 Hg3 -0.04880 0.19430 0.10360 O 0.07930 0.17570 0.93910 Cl 0.19420 0.29330 0.64470