#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/78/1527886.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_1527886 loop_ _publ_author_name 'Norlund Christensen, A.' 'Hazell, R.G.' _publ_section_title ; The Crystal Structure of the Tetragonal Modification of Yb O O H ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 1171 _journal_page_last 1176 _journal_volume 26 _journal_year 1972 _chemical_formula_sum 'H O2 Yb' _chemical_name_systematic 'Yb O O H' _space_group_IT_number 113 _symmetry_space_group_name_Hall 'P -4 2ab' _symmetry_space_group_name_H-M 'P -4 21 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.465 _cell_length_b 5.465 _cell_length_c 5.327 _cell_volume 159.097 _citation_journal_id_ASTM ACSAA4 _cod_data_source_file NorlundChristensen_ACSAA4_1972_968.cif _cod_data_source_block H1O2Yb1 _cod_original_cell_volume 159.0974 _cod_original_formula_sum 'H1 O2 Yb1' _cod_database_code 1527886 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0.5 0 0.1 1 0.0 O2 O-2 0 0 0 1 0.0 O3 O-2 0.324 0.824 0.59 1 0.0 Yb1 Yb+3 0.2194 0.7194 0.2 1 0.0