#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/60/1536078.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_1536078 loop_ _publ_author_name 'Viklund, P.' 'Svensson, C.' 'Haeussermann, U.' 'Simak, S.I.' 'Hull, S.' 'Berastegui, P.' _publ_section_title ; The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework ; _journal_name_full 'Chemistry - A European Journal' _journal_page_first 5143 _journal_page_last 5152 _journal_volume 7 _journal_year 2001 _chemical_formula_sum 'Ga41 V8' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 13.9351 _cell_length_b 13.9351 _cell_length_c 14.8828 _cell_volume 2502.854 _citation_journal_id_ASTM CEUJED _cod_data_source_file Viklund_CEUJED_2001_240.cif _cod_data_source_block Ga41V8 _cod_database_code 1536078 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 Ga7 Ga 0.44879 -0.20976 0.33158 1 0.0 Ga8 Ga 0.6667 0.3333 0.3333 1 0.0 Ga9 Ga 0.3333 -0.3333 0.1667 1 0.0 Ga4 Ga 0.1667 -0.1667 0.3333 1 0.0 Ga5 Ga 0.49681 0.17667 0.44706 1 0.0 Ga1 Ga 0.48404 0.01451 0.33961 1 0.0 V1 V 0.30981 0.01452 0.40118 1 0.0 Ga6 Ga 0.44475 -0.0906 0.17051 1 0.0 Ga2 Ga 0.31951 0.00916 0.23276 1 0.0 Ga3 Ga 0.33386 -0.1506 0.45131 1 0.0 V2 V 0.6667 0.3333 0.5195 1 0.0