#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010384.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_1010384 loop_ _publ_author_name 'Natta, G' _publ_section_title ; Struttura degli idrossidi ed idrati. - Nota IV. Sul perossido di stronzio ottoidrato ; _journal_coden_ASTM GCITA9 _journal_name_full 'Gazzetta Chimica Italiana' _journal_page_first 444 _journal_page_last 456 _journal_volume 62 _journal_year 1932 _chemical_formula_structural 'Sr O2 (H2 O)8' _chemical_formula_sum 'H16 O10 Sr' _chemical_name_systematic 'Strontium peroxide octahydrate' _space_group_IT_number 123 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 6.32 _cell_length_b 6.32 _cell_length_c 5.56 _cell_volume 222.1 _cod_database_code 1010384 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z x,-y,z -y,x,z y,-x,z y,x,z -y,-x,z -x,-y,-z x,y,-z x,-y,-z -x,y,-z y,-x,-z -y,x,-z -y,-x,-z y,x,-z 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 Sr1 Sr2+ 1 a 0. 0. 0. 1. 0 d O1 O1- 2 h 0.5 0.5 0.1 1. 0 d O2 O2- 8 r 0.2 0.2 0.25 1. 2 d loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 O1- -1.000 O2- -2.000 H1+ 1.000