#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/00/1000025.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_1000025 _audit_creation_date '2002-02-11' # Crystal Data _chemical_formula_sum 'La Ni5' # Publication Data _journal_name_full 'J. alloys compd.' _journal_coden_ASTM JALCEU _journal_volume 185 _journal_year 1992 _journal_page_first 369 _journal_page_last 384 # Unit Cell Data _cell_length_a 5.0125(3) _cell_length_b 5.0125(3) _cell_length_c 3.9873(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120. _cell_volume 86.76 _cell_formula_units_Z 1 # Space Group _symmetry_space_group_name_H-M 'P 6/m m m' _symmetry_Int_Tables_number 191 _symmetry_cell_setting hexagonal 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' 'y,x,-z' 'x-y,-y,-z' '-x,-x+y,-z' '-y,-x,-z' '-x+y,y,-z' 'x,x-y,-z' '-x,-y,-z' 'y,-x+y,-z' 'x-y,x,-z' 'x,y,-z' '-y,x-y,-z' '-x+y,-x,-z' '-y,-x,z' '-x+y,y,z' 'x,x-y,z' 'y,x,z' 'x-y,-y,z' '-x,-x+y,z' # Atomic Coordinates loop_ _atom_site_label _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_type_symbol La 1 a 0 0 0 1 La Ni1 2 c 0.3333 0.6667 0 1 Ni Ni2 3 g 0.5000 0 0.5000 1 Ni _cod_database_code 1000025