#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005529.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_2005529 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 2387 _journal_page_last 2389 _publ_section_title ; KGaAs~2~O~7~ ; _chemical_formula_moiety 'K Ga As2 O7' _chemical_formula_sum 'K Ga As2 O7' _chemical_formula_weight 370.65 _symmetry_cell_setting Triclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z _symmetry_space_group_name_H-M 'P -1' _cell_length_a 6.271(1) _cell_length_b 6.376(1) _cell_length_c 8.169(1) _cell_angle_alpha 96.45(1) _cell_angle_beta 103.86(1) _cell_angle_gamma 103.87(1) _cell_volume 302.84(8) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 4.065 _cell_measurement_temperature 293 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K1 0.00000 0.50000 0.50000 0.0363(10) K2 0.00000 0.50000 0.00000 0.0708(18) Ga 0.37526(9) 0.19236(8) 0.72415(6) 0.0122(3) As1 0.17389(8) 0.96533(8) 0.30932(6) 0.0121(2) As2 -0.48212(8) 0.25386(7) 0.16579(6) 0.0119(3) O1 -0.0908(6) 0.8039(6) 0.2183(4) 0.0161(16) O2 0.3361(6) 0.7913(6) 0.3308(5) 0.0165(17) O3 0.2068(6) 1.1509(6) 0.4786(4) 0.0154(16) O4 0.2337(6) 1.1146(6) 0.1486(4) 0.0170(16) O5 0.4469(7) 0.7384(6) 0.0285(4) 0.0175(17) O6 -0.4286(7) 0.4979(6) 0.2852(5) 0.0191(19) O7 -0.3102(7) 0.1238(6) 0.2775(5) 0.0173(17)