#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005333.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_2005333 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 2123 _journal_page_last 2125 _publ_section_title ; La~3~(Si~2~O~7~)Cl~3~ ; _chemical_formula_moiety 'La3 Si2 O7 Cl3' _chemical_formula_sum 'Cl3 La3 O7 Si2' _chemical_formula_weight 691.26 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+y,-z _symmetry_space_group_name_H-M 'P 21' _cell_length_a 5.364(8) _cell_length_b 12.148(9) _cell_length_c 7.922(4) _cell_angle_alpha 90 _cell_angle_beta 108.87(6) _cell_angle_gamma 90 _cell_volume 488.5(9) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 4.70 _cell_measurement_temperature 293 loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv La(1) 1.00 0.4336(2) 0.25 0.2997(1) 0.0060(2) La(2) 1.00 0.9801(2) 0.4943(1) 0.5795(1) 0.0071(2) La(3) 1.00 0.7144(2) 0.4704(1) 1.0289(1) 0.0051(2) Cl(1) 1.00 0.989(1) 0.2460(5) 0.5067(8) 0.0121(9) Cl(2) 1.00 0.163(1) 0.3689(5) -0.0592(7) 0.011(1) Cl(3) 1.00 0.543(1) 0.3751(5) 0.6639(7) 0.010(1) Si(1) 1.00 0.392(1) 0.5447(5) 0.3161(8) 0.005(1) Si(2) 1.00 0.782(1) 0.1567(5) 0.0653(8) 0.006(1) O(1) 1.00 0.442(3) 0.105(2) 0.505(2) 0.013(3) O(2) 1.00 0.641(3) 0.090(1) 0.187(2) 0.009(3) O(3) 1.00 0.585(3) 0.445(1) 0.306(2) 0.008(3) O(4) 1.00 0.089(3) 0.118(1) 0.127(2) 0.007(2) O(5) 1.00 0.104(3) 0.503(2) 0.310(2) 0.011(3) O(6) 1.00 0.378(3) 0.617(2) 0.138(2) 0.010(3) O(7) 1.00 0.733(3) 0.284(2) 0.095(2) 0.011(3)