#------------------------------------------------------------------------------ #$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $ #$Revision: 846 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2004306.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_2004306 _journal_name_full 'Acta Crystallographica C' _journal_volume 51 _journal_year 1995 _journal_page_first 2476 _journal_page_last 2477 _publ_section_title ; Low-Density Form of NaGaSi~2~O~6~ ; _chemical_formula_sum 'Na Ga Si2 O6' _chemical_formula_weight 244.88 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,1/2+z' '-x,-y,-z' '-x,y,1/2-z' '1/2+x,1/2+y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2-y,-z' '1/2-x,1/2+y,1/2-z' _symmetry_space_group_name_H-M 'C 2/c' _cell_length_a 9.5573(5) _cell_length_b 8.7019(2) _cell_length_c 5.2705(3) _cell_angle_alpha 90 _cell_angle_beta 107.637(2) _cell_angle_gamma 90 _cell_volume 417.73(4) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 3.89 _cell_measurement_temperature 296 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0 0.3005(1) .25 0.0125(3) Ga 0 0.90189(3) .25 0.00471(5) Si 0.29116(5) 0.09116(5) 0.2322(1) 0.0043(1) O1 0.1120(2) 0.0779(1) 0.1334(3) 0.0057(3) O2 0.3587(2) 0.2588(2) 0.3018(3) 0.0076(3) O3 0.3527(1) 0.0097(2) 0.0076(2) 0.0068(3)