#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/16/4031694.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_4031694 loop_ _publ_author_name 'Bel'skii, V.K.' 'Bulychev, B.M.' 'Golubeva, A.V.' _publ_section_title ; The repeated definition of the structure Na Al H4 ; _journal_name_full ; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) ; _journal_page_first 1528 _journal_page_last 1529 _journal_volume 28 _journal_year 1983 _chemical_formula_sum 'Al H4 Na' _chemical_name_systematic 'Na (Al H4)' _space_group_IT_number 88 _symmetry_space_group_name_Hall 'I 4bw -1bw' _symmetry_space_group_name_H-M 'I 41/a :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.021 _cell_length_b 5.021 _cell_length_c 11.346 _cell_volume 286.038 _citation_journal_id_ASTM RJICAQ _cod_data_source_file Belskii_RJICAQ_1983_527.cif _cod_data_source_block H4Al1Na1 _cod_original_cell_volume 286.0377 _cod_original_sg_symbol_Hall '-I 4ad (x,y+1/4,z+1/8)' _cod_original_formula_sum 'H4 Al1 Na1' _cod_database_code 4031694 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/2,z+1/4 -x+1/2,-y+1/2,z+1/2 y+1/2,-x,z+3/4 -x,-y+1/2,-z+1/4 y,-x,-z x-1/2,y,-z-1/4 -y-1/2,x+1/2,-z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1,z+3/4 -x+1,-y+1,z+1 y+1,-x+1/2,z+5/4 -x+1/2,-y+1,-z+3/4 y+1/2,-x+1/2,-z+1/2 x,y+1/2,-z+1/4 -y,x+1,-z 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 Al1 Al+3 0 0 0.5 1 0.0 H1 H-1 0.234 0.636 0.675 1 0.0 Na1 Na+1 0 0 0 1 0.0