#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010938.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_1010938 _chemical_name_systematic 'Silicon oxide' _chemical_name_mineral 'Cristobalite low' _chemical_compound_source 'from Eschwege, Germany' _chemical_formula_structural 'Si O2' _chemical_formula_sum 'O2 Si' _publ_section_title ; Die Kristallstruktur des Tief-Cristobalits Si O2 ; _publ_author_name 'Nieuwenkamp, W' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 92 _journal_year 1935 _journal_page_first 82 _journal_page_last 88 _cell_length_a 4.964(5) _cell_length_b 4.964(5) _cell_length_c 6.920(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 170.5 _cell_formula_units_Z 4 _exptl_crystal_density_meas 2.33 _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_Int_Tables_number 92 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,1/2+z' '1/2-y,1/2+x,1/4+z' '1/2+y,1/2-x,3/4+z' 'y,x,-z' '-y,-x,1/2-z' '1/2-x,1/2+y,1/4-z' '1/2+x,1/2-y,3/4-z' loop_ _atom_type_symbol _atom_type_oxidation_number Si4+ 4.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Si1 Si4+ 4 a 0.300(5) 0.300(5) 0. 1. 0 d O1 O2- 8 b 0.245(5) 0.10(1) 0.175(5) 1. 0 d