#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1011144.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_1011144 _chemical_name_systematic 'Antimony phyllo-tetraoxotantalate' _chemical_name_mineral 'Stibiotantalite' _chemical_compound_source 'from Mesa Grande, California' _chemical_formula_structural 'Sb (Ta O4)' _chemical_formula_sum 'O4 Sb Ta' _publ_section_title ; Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4 ; loop_ _publ_author_name 'Dihlstroem, K' _journal_name_full ; Zeitschrift fuer Anorganische und Allgemeine Chemie ; _journal_coden_ASTM ZAACAB _journal_volume 239 _journal_year 1938 _journal_page_first 57 _journal_page_last 64 _cell_length_a 4.916 _cell_length_b 5.542 _cell_length_c 11.78 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 320.9 _cell_formula_units_Z 4 _exptl_crystal_density_meas 7.3 _symmetry_space_group_name_H-M 'P n a 21' _symmetry_Int_Tables_number 33 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,z' loop_ _atom_type_symbol _atom_type_oxidation_number Sb3+ 3.000 Ta5+ 5.000 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 Sb1 Sb3+ 4 a -0.04 0. 0. 1. 0 d Ta1 Ta5+ 4 a 0. 0.375 0.25 1. 0 d O1 O2- 4 a 0.16 0.33 0.09 1. 0 d O2 O2- 4 a 0.75 0.12 0.17 1. 0 d O3 O2- 4 a 0.25 0.12 0.33 1. 0 d O4 O2- 4 a 0.84 0.33 0.41 1. 0 d _cod_database_code 1011144