#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9011104.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_9011104 loop_ _publ_author_name 'Smolin, Y. I.' 'Shepelev, Y. F.' _publ_section_title ; The crystal structures of the rare earth pyrosilicates Locality: synthetic ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 484 _journal_page_last 492 _journal_volume 26 _journal_year 1970 _chemical_formula_sum 'O7 Si2 Yb2' _chemical_name_mineral Keiviite-(Yb) _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 102.12 _cell_angle_gamma 90 _cell_length_a 6.802 _cell_length_b 8.875 _cell_length_c 4.703 _cell_volume 277.581 _exptl_crystal_density_diffrn 6.153 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_8902' _[local]_cod_chemical_formula_sum_orig 'Yb2 Si2 O7' _cod_database_code 9011104 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,z x,-y,z 1/2+x,1/2-y,z -x,y,-z 1/2-x,1/2+y,-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 _atom_site_U_iso_or_equiv Yb 0.50000 0.80687 0.00000 0.00317 Si 0.71890 0.50000 0.41250 0.00469 O1 0.50000 0.50000 0.50000 0.01292 O2 0.88310 0.50000 0.71510 0.00633 O3 0.73610 0.65040 0.21970 0.00684