#------------------------------------------------------------------------------ #$Date: 2015-10-05 12:24:00 +0300 (Mon, 05 Oct 2015) $ #$Revision: 159823 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/35/1533569.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_1533569 loop_ _publ_author_name 'Tarakina, N.V.' 'Tyutyunnik, A.P.' 'Hannerz, H.' 'D'yachkova, T.V.' 'Zubkov, V.G.' 'Zainulin, Yu.G.' 'Svensson, G.' _publ_section_title ; High temperature/high pressure synthesis and crystal structure of the new corundum related compound Zn4 Nb2 O9 ; _journal_name_full 'Solid State Sciences' _journal_page_first 459 _journal_page_last 463 _journal_volume 5 _journal_year 2003 _chemical_formula_sum 'Nb2 O9 Zn4' _chemical_name_systematic 'Zn4 (Nb2 O9)' _space_group_IT_number 165 _symmetry_space_group_name_Hall '-P 3 2"c' _symmetry_space_group_name_H-M 'P -3 c 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 5.1864 _cell_length_b 5.1864 _cell_length_c 14.1445 _cell_volume 329.496 _citation_journal_id_ASTM SSSCFJ _cod_data_source_file Tarakina_SSSCFJ_2003_1010.cif _cod_data_source_block Nb2O9Zn4 _cod_original_cell_volume 329.4961 _cod_database_code 1533569 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z+1/2 -x,-x+y,-z+1/2 x-y,-y,-z+1/2 -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z-1/2 x,x-y,z-1/2 -x+y,y,z-1/2 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 Zn2 Zn+2 0.3333 0.6667 0.2963 1 0.0 Zn1 Zn+2 0.3333 0.6667 0.0166 1 0.0 O1 O-2 0.3509 0.3072 0.0819 1 0.0 O2 O-2 0.2821 0 0.25 1 0.0 Nb1 Nb+5 0 0 0.3594 1 0.0