#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9008526.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_9008526 loop_ _publ_author_name 'Wyckoff R W G' _publ_section_title ; Second edition. Interscience Publishers, New York, New York Double hexagonal closest packed, dhcp, structure ; _journal_name_full 'Crystal Structures' _journal_page_first 7 _journal_page_last 83 _journal_volume 1 _journal_year 1963 _chemical_formula_sum Nd _chemical_name_mineral Neodymium _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.6579 _cell_length_b 3.6579 _cell_length_c 11.7992 _cell_volume 136.725 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-x+y,1/2+z x,x-y,1/2-z -x+y,-x,1/2-z x-y,x,1/2+z -y,-x,z y,x,-z y,-x+y,-z -y,x-y,z x-y,-y,1/2+z -x+y,y,1/2-z x,y,1/2-z -x,-y,1/2+z x,x-y,z -x,-x+y,-z x-y,x,-z -x+y,-x,z y,x,1/2+z -y,-x,1/2-z -y,x-y,1/2-z y,-x+y,1/2+z -x+y,y,z x-y,-y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Nd1 0.00000 0.00000 0.00000 Nd2 0.33333 0.66667 0.75000