#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/00/5910026.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_5910026 _journal_name_full 'The second edition of Structure of Crystals' _journal_page_first 232 _journal_page_last 239 _chemical_formula_structural ZrSe2 _chemical_formula_sum 'Se2 Zr' _chemical_name_systematic 'Zirconium diselenide' _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P -3 m 1' _audit_creation_date 2005-03-11 _audit_creation_method ; Pages 232 & 239 from the second edition of Structure of Crystals by RWG Wyckoff and http://physics.syr.edu/courses/vrml ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.63 _cell_length_b 3.63 _cell_length_c 5.85 _cell_volume 66.757 _cod_original_sg_symbol_H-M 'P a -3 m 1' _cod_original_formula_sum 'Zr Se2' _cod_database_code 5910026 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Zr 0.333333 0.666667 0.2492 Se