#------------------------------------------------------------------------------ #$Date: 2015-07-10 15:15:04 +0300 (Fri, 10 Jul 2015) $ #$Revision: 142273 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/20/1522054.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_1522054 loop_ _publ_author_name 'Troyanov, S.I.' 'Zaitsev, B.E.' 'Kostrikin, A.V.' 'Lin'ko, I.V.' 'Ezhov, A.I.' 'Spiridonov, F.M.' _publ_section_title ; Crystal structure of hydroxohafnates Na2 Hf (O H)6 and K2 Hf (O H)6 ; _journal_name_full Kristallografiya _journal_page_first 1054 _journal_page_last 1058 _journal_volume 44 _journal_year 1999 _chemical_formula_sum 'H6 Hf K2 O6' _chemical_name_systematic 'K2 (Hf (O H)6)' _space_group_IT_number 67 _symmetry_space_group_name_Hall '-C 2a 2' _symmetry_space_group_name_H-M 'C m m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 13.564 _cell_length_b 16.651 _cell_length_c 5.754 _cell_volume 1299.565 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Troyanov_KRISAJ_1999_448.cif _cod_data_source_block H6Hf1K2O6 _cod_chemical_formula_sum_orig 'H6 Hf1 K2 O6' _cod_database_code 1522054 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z x,-y,-z -x+1/2,y,-z -x,-y,-z x-1/2,y,-z -x,y,z x-1/2,-y,z x+1/2,y+1/2,z -x+1,-y+1/2,z x+1/2,-y+1/2,-z -x+1,y+1/2,-z -x+1/2,-y+1/2,-z x,y+1/2,-z -x+1/2,y+1/2,z x,-y+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 O3 O-2 0 0.6245 0.171 1 0.0 O2 O-2 0.1067 0.75 0.897 1 0.0 Hf1 Hf+4 0 0.75 0.1519 1 0.0 Hf2 Hf+4 0.25 0.5 0.5 1 0.0 K1 K+1 0 0.609 0.6605 1 0.0 O1 O-2 0.1121 0.75 0.402 1 0.0 O5 O-2 0.25 0.3746 0.5 1 0.0 O4 O-2 0.1412 0.5047 0.245 1 0.0 K2 K+1 0.25 0.6391 0 1 0.0