#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/8101631.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_8101631 _journal_name_full 'Zeitschrift fur Kristallographie - NCS' _journal_year 1999 _publ_section_title ; Crystal structure of the tetrahedranides Rb~4~Sn~4~ and Cs~4~Sn~4~ ; _space_group_IT_number 142 _symmetry_space_group_name_Hall '-I 4bd 2c' _symmetry_space_group_name_H-M 'I 41/a c d :2' _[local]_cod_cif_authors_sg_H-M 'I 41/a c d' loop_ _publ_author_name 'Baitinger, M.' 'Grin, Yu.' 'Schnering, H. G. von' 'Kniep, R.' _chemical_name_common 'rubidium stannide' _chemical_formula_structural 'Rb4 Sn4' _chemical_formula_sum 'Rb16 Sn16' _chemical_formula_weight 6533.12 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz x,y,z 3/4-y,1/4+x,3/4+z 1/2-x,-y,1/2+z 3/4+y,3/4-x,1/4+z -x,y,1/2+z 1/4+y,1/4+x,1/4+z 1/2+x,-y,z 1/4-y,3/4-x,3/4+z -x,-y,-z -3/4+y,-1/4-x,-3/4-z -1/2+x,y,-1/2-z -3/4-y,-3/4+x,-1/4-z x,-y,-1/2-z -1/4-y,-1/4-x,-1/4-z -1/2-x,y,-z -1/4+y,-3/4+x,-3/4-z 1/2+x,1/2+y,1/2+z 5/4-y,3/4+x,5/4+z 1-x,1/2-y,1+z 5/4+y,5/4-x,3/4+z 1/2-x,1/2+y,1+z 3/4+y,3/4+x,3/4+z 1+x,1/2-y,1/2+z 3/4-y,5/4-x,5/4+z 1/2-x,1/2-y,1/2-z -1/4+y,1/4-x,-1/4-z x,1/2+y,-z -1/4-y,-1/4+x,1/4-z 1/2+x,1/2-y,-z 1/4-y,1/4-x,1/4-z -x,1/2+y,1/2-z 1/4+y,-1/4+x,-1/4-z _cell_length_a 11.757(1) _cell_length_b 11.757(1) _cell_length_c 19.215(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2656.0(7) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 4.0797(6) _diffrn_ambient_temperature 295 _diffrn_ambient_environment air _refine_ls_R_factor_obs 0.0532 _refine_ls_wR_factor_obs 0.0532 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_type_symbol _atom_site_occupancy Rb1 0.8582(2) 0 0.25 Uani 0.0359(7) 16 e Rb . Rb2 0.3798(2) 0.6298(2) 0.125 Uani 0.0383(6) 16 f Rb . Sn 0.06304(1) 0.14176(1) 0.92908(6) Uani 0.0289(3) 32 g Sn . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rb1 0.0330(12) 0.0369(13) 0.0379(11) 0 0 -0.0085(12) Rb2 0.0382(8) 0.0382(8) 0.0384(12) 0.0019(12) -0.0003(8) 0.0003(8) Sn 0.0287(6) 0.0296(6) 0.0284(5) 0.0003(5) -0.0053(5) 0.0074(5)