#------------------------------------------------------------------------------ #$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9008136.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_9008136 loop_ _publ_author_name 'Taxer, K. J.' 'Buerger, M. J.' _publ_section_title ; The crystal struture of rhodizite Note: name of mineral altered according to IMA decision in 1999 to name the Cs dominant phase: londonite Locality: Manjaka, Madagascar ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 423 _journal_page_last 436 _journal_volume 125 _journal_year 1967 _chemical_formula_sum 'Al4 B12 Be4 Cs O28' _chemical_name_mineral Londonite _space_group_IT_number 215 _symmetry_space_group_name_Hall 'P -4 2 3' _symmetry_space_group_name_H-M 'P -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.319 _cell_length_b 7.319 _cell_length_c 7.319 _cell_volume 392.062 _exptl_crystal_density_diffrn 3.620 _[local]_cod_chemical_formula_sum_orig 'Cs B12 Be4 Al4 O28' _cod_database_code 9008136 _amcsd_database_code AMCSD#0010328 loop_ _symmetry_equiv_pos_as_xyz x,y,z -z,x,-y -y,z,-x -x,y,-z x,-z,-y z,-y,-x y,-x,-z x,z,y z,y,x y,x,z -z,-x,y -y,-z,x -x,-y,z z,-x,-y y,-z,-x x,-y,-z -x,z,-y -z,y,-x -y,x,-z -x,-z,y -z,-y,x -y,-x,z z,x,y y,z,x 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 Cs 0.01303 0.01303 0.01303 0.00000 0.00000 0.00000 Be 0.01845 0.01845 0.01845 0.00081 0.00081 0.00081 Al 0.00706 0.00706 0.00706 0.00054 0.00054 0.00054 O1 0.00407 0.00407 0.00407 0.00461 0.00461 0.00461 O2 0.00353 0.00353 0.00543 0.00299 -0.00081 0.00299 O3 0.00787 0.00787 0.01303 0.00651 0.00027 0.00651 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs 0.00000 0.00000 0.00000 0.01292 B 0.24690 0.50000 0.00000 0.01013 Be 0.74900 0.74900 0.74900 0.01773 Al 0.36030 0.36030 0.36030 0.00697 O1 0.62030 0.62030 0.62030 0.00646 O2 0.36430 0.36430 0.10010 0.00405 O3 0.13420 0.13420 0.59960 0.00950