#------------------------------------------------------------------------------ #$Date: 2016-02-05 07:14:21 +0000 (Fri, 05 Feb 2016) $ #$Revision: 176224 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010673.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1010673 loop_ _publ_author_name 'Kraus, O' _publ_section_title ; Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 379 _journal_page_last 395 _journal_paper_doi 10.1524/zkri.1936.93.1.379 _journal_volume 93 _journal_year 1936 _chemical_formula_structural 'Fe H Si W12 O40 (H2 O)24' _chemical_formula_sum 'H49 Fe O64 Si W12' _chemical_name_systematic ; Iron hydrogen dodecatungstosilicate 24-hydrate ; _space_group_IT_number 166 _symmetry_cell_setting trigonal _symmetry_Int_Tables_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 15.6 _cell_length_b 15.6 _cell_length_c 39.8 _cell_volume 8388.1 _[local]_cod_cif_authors_sg_H-M 'R -3 m H' _cod_database_code 1010673 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z -y,-x,z x,x-y,z y-x,y,z -x,-y,-z y,y-x,-z x-y,x,-z y,x,-z -x,y-x,-z x-y,-y,-z 1/3+x,2/3+y,2/3+z 2/3+x,1/3+y,1/3+z 1/3-y,2/3+x-y,2/3+z 2/3-y,1/3+x-y,1/3+z 1/3-x+y,2/3-x,2/3+z 2/3-x+y,1/3-x,1/3+z 1/3-y,2/3-x,2/3+z 2/3-y,1/3-x,1/3+z 1/3+x,2/3+x-y,2/3+z 2/3+x,1/3+x-y,1/3+z 1/3-x+y,2/3+y,2/3+z 2/3-x+y,1/3+y,1/3+z 1/3-x,2/3-y,2/3-z 2/3-x,1/3-y,1/3-z 1/3+y,2/3-x+y,2/3-z 2/3+y,1/3-x+y,1/3-z 1/3+x-y,2/3+x,2/3-z 2/3+x-y,1/3+x,1/3-z 1/3+y,2/3+x,2/3-z 2/3+y,1/3+x,1/3-z 1/3-x,2/3-x+y,2/3-z 2/3-x,1/3-x+y,1/3-z 1/3+x-y,2/3-y,2/3-z 2/3+x-y,1/3-y,1/3-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?