#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/53/1515383.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_1515383 loop_ _publ_author_name 'He, Yuping' 'Sui, Fan' 'Kauzlarich, Susan M.' 'Galli, Giulia' _publ_section_title ; Si-based Earth abundant clathrates for solar energy conversion ; _journal_issue 8 _journal_name_full 'Energy & Environmental Science' _journal_page_first 2598 _journal_paper_doi 10.1039/C4EE00256C _journal_volume 7 _journal_year 2014 _chemical_formula_sum 'Al9.1 K8 Si36.9' _chemical_formula_weight 1594.84 _chemical_name_systematic ; ? ; _space_group_IT_number 223 _symmetry_cell_setting cubic _symmetry_space_group_name_Hall '-P 4n 2 3' _symmetry_space_group_name_H-M 'P m -3 n' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 1 _cell_length_a 10.4802(16) _cell_length_b 10.4802(16) _cell_length_c 10.4802(16) _cell_measurement_reflns_used 264 _cell_measurement_temperature 90(2) _cell_measurement_theta_max 27.46 _cell_measurement_theta_min 2.75 _cell_volume 1151.1(3) _computing_cell_refinement 'APEX2 Software Suite (Bruker,2005)' _computing_data_collection 'APEX2 Software Suite (Bruker,2005)' _computing_data_reduction 'APEX2 Software Suite (Bruker,2005)' _computing_molecular_graphics 'SHELXTL (Bruker, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 90(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker APEX2 CCD area-detector diffractometer' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0300 _diffrn_reflns_av_sigmaI/netI 0.0056 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 13513 _diffrn_reflns_theta_full 27.46 _diffrn_reflns_theta_max 27.46 _diffrn_reflns_theta_min 2.75 _exptl_absorpt_coefficient_mu 1.905 _exptl_absorpt_correction_T_max 0.9629 _exptl_absorpt_correction_T_min 0.9108 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'APEX2 Software Suite (Bruker,2005)' _exptl_crystal_colour Black _exptl_crystal_density_diffrn 2.301 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Block _exptl_crystal_F_000 787 _exptl_crystal_size_max 0.05 _exptl_crystal_size_mid 0.03 _exptl_crystal_size_min 0.02 _refine_diff_density_max 0.237 _refine_diff_density_min -0.152 _refine_diff_density_rms 0.047 _refine_ls_goodness_of_fit_ref 0.860 _refine_ls_matrix_type full _refine_ls_number_parameters 17 _refine_ls_number_reflns 264 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 0.859 _refine_ls_R_factor_all 0.0123 _refine_ls_R_factor_gt 0.0113 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0220P)^2^+1.0447P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0313 _refine_ls_wR_factor_ref 0.0322 _reflns_number_gt 248 _reflns_number_total 264 _reflns_threshold_expression >2sigma(I) _cod_data_source_file c4ee00256c2.cif _cod_data_source_block sad _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to /usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius Adding full bibliography for 1515383.cif. ; _cod_original_sg_symbol_H-M Pm-3n _cod_original_formula_sum 'Al9.10 K8 Si36.90' _cod_database_code 1515383 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y+1/2, x+1/2, -z+1/2' '-y+1/2, -x+1/2, -z+1/2' 'y+1/2, -x+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' 'x+1/2, z+1/2, -y+1/2' '-x+1/2, z+1/2, y+1/2' '-x+1/2, -z+1/2, -y+1/2' 'x+1/2, -z+1/2, y+1/2' 'z+1/2, y+1/2, -x+1/2' 'z+1/2, -y+1/2, x+1/2' '-z+1/2, y+1/2, x+1/2' '-z+1/2, -y+1/2, -x+1/2' '-x, -y, -z' 'x, y, -z' 'x, -y, z' '-x, y, z' '-z, -x, -y' '-z, x, y' 'z, x, -y' 'z, -x, y' '-y, -z, -x' 'y, -z, x' '-y, z, x' 'y, z, -x' '-y-1/2, -x-1/2, z-1/2' 'y-1/2, x-1/2, z-1/2' '-y-1/2, x-1/2, -z-1/2' 'y-1/2, -x-1/2, -z-1/2' '-x-1/2, -z-1/2, y-1/2' 'x-1/2, -z-1/2, -y-1/2' 'x-1/2, z-1/2, y-1/2' '-x-1/2, z-1/2, -y-1/2' '-z-1/2, -y-1/2, x-1/2' '-z-1/2, y-1/2, -x-1/2' 'z-1/2, -y-1/2, -x-1/2' 'z-1/2, y-1/2, x-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags K1 K 0.0000 0.0000 0.0000 0.0059(2) Uani 1 24 d S K2 K 0.2500 0.5000 0.0000 0.01224(16) Uani 1 8 d S Si1 Si 0.0000 0.30346(3) 0.11688(4) 0.00563(15) Uani 0.879(19) 2 d SP Al1 Al 0.0000 0.30346(3) 0.11688(4) 0.00563(15) Uani 0.121(19) 2 d SP Si2 Si 0.18430(2) 0.18430(2) 0.18430(2) 0.00577(14) Uani 1 3 d S Si3 Si 0.0000 0.5000 0.2500 0.0056(4) Uani 0.21(8) 8 d SP Al3 Al 0.0000 0.5000 0.2500 0.0056(4) Uani 0.79(8) 8 d SP loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 K1 0.0059(2) 0.0059(2) 0.0059(2) 0.000 0.000 0.000 K2 0.0083(3) 0.0142(2) 0.0142(2) 0.000 0.000 0.000 Si1 0.0057(2) 0.0054(2) 0.0058(2) 0.00041(12) 0.000 0.000 Al1 0.0057(2) 0.0054(2) 0.0058(2) 0.00041(12) 0.000 0.000 Si2 0.00577(14) 0.00577(14) 0.00577(14) -0.00043(9) -0.00043(9) -0.00043(9) Si3 0.0050(4) 0.0050(4) 0.0069(5) 0.000 0.000 0.000 Al3 0.0050(4) 0.0050(4) 0.0069(5) 0.000 0.000 0.000 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 Si2 K1 Si2 109.5 25 28 Si2 K1 Si2 70.5 25 4 Si2 K1 Si2 180.000(14) 28 4 Si2 K1 Si2 109.5 25 27 Si2 K1 Si2 109.5 28 27 Si2 K1 Si2 70.5 4 27 Si2 K1 Si2 70.5 25 3 Si2 K1 Si2 70.5 28 3 Si2 K1 Si2 109.5 4 3 Si2 K1 Si2 180.00(2) 27 3 Si2 K1 Si2 109.5 25 26 Si2 K1 Si2 109.5 28 26 Si2 K1 Si2 70.5 4 26 Si2 K1 Si2 109.5 27 26 Si2 K1 Si2 70.5 3 26 Si2 K1 Si2 70.5 25 2 Si2 K1 Si2 70.5 28 2 Si2 K1 Si2 109.5 4 2 Si2 K1 Si2 70.5 27 2 Si2 K1 Si2 109.5 3 2 Si2 K1 Si2 180.00(2) 26 2 Si2 K1 Si2 180.000(14) 25 . Si2 K1 Si2 70.5 28 . Si2 K1 Si2 109.5 4 . Si2 K1 Si2 70.5 27 . Si2 K1 Si2 109.5 3 . Si2 K1 Si2 70.5 26 . Si2 K1 Si2 109.5 2 . Si2 K1 Si1 138.269(3) 25 . Si2 K1 Si1 41.731(3) 28 . Si2 K1 Si1 138.269(3) 4 . Si2 K1 Si1 109.346(5) 27 . Si2 K1 Si1 70.654(5) 3 . Si2 K1 Si1 70.654(5) 26 . Si2 K1 Si1 109.346(5) 2 . Si2 K1 Si1 41.731(3) . . Si2 K1 Si1 41.731(3) 25 29 Si2 K1 Si1 109.346(5) 28 29 Si2 K1 Si1 70.654(5) 4 29 Si2 K1 Si1 138.269(3) 27 29 Si2 K1 Si1 41.731(3) 3 29 Si2 K1 Si1 70.654(5) 26 29 Si2 K1 Si1 109.346(5) 2 29 Si2 K1 Si1 138.269(3) . 29 Si1 K1 Si1 109.597(5) . 29 Si2 K1 Si1 138.269(3) 25 9 Si2 K1 Si1 109.346(5) 28 9 Si2 K1 Si1 70.654(5) 4 9 Si2 K1 Si1 70.654(5) 27 9 Si2 K1 Si1 109.346(5) 3 9 Si2 K1 Si1 41.731(3) 26 9 Si2 K1 Si1 138.269(3) 2 9 Si2 K1 Si1 41.731(3) . 9 Si1 K1 Si1 70.404(5) . 9 Si1 K1 Si1 109.596(5) 29 9 Al1 K2 Al1 160.858(12) 17 26 Al1 K2 Si1 0.000(14) 17 17 Al1 K2 Si1 160.858(12) 26 17 Al1 K2 Si1 160.858(12) 17 26 Al1 K2 Si1 0.000(11) 26 26 Si1 K2 Si1 160.858(12) 17 26 Al1 K2 Al1 40.359(11) 17 42_666 Al1 K2 Al1 122.989(5) 26 42_666 Si1 K2 Al1 40.359(11) 17 42_666 Si1 K2 Al1 122.989(5) 26 42_666 Al1 K2 Si1 40.359(11) 17 42_666 Al1 K2 Si1 122.989(5) 26 42_666 Si1 K2 Si1 40.359(11) 17 42_666 Si1 K2 Si1 122.989(5) 26 42_666 Al1 K2 Si1 0.000(14) 42_666 42_666 Al1 K2 Al1 122.989(5) 17 25_565 Al1 K2 Al1 70.915(10) 26 25_565 Si1 K2 Al1 122.989(5) 17 25_565 Si1 K2 Al1 70.915(10) 26 25_565 Al1 K2 Al1 160.858(12) 42_666 25_565 Si1 K2 Al1 160.858(12) 42_666 25_565 Al1 K2 Si1 122.989(5) 17 25_565 Al1 K2 Si1 70.915(10) 26 25_565 Si1 K2 Si1 122.989(5) 17 25_565 Si1 K2 Si1 70.915(10) 26 25_565 Al1 K2 Si1 160.858(12) 42_666 25_565 Si1 K2 Si1 160.858(12) 42_666 25_565 Al1 K2 Si1 0.0 25_565 25_565 Al1 K2 Al1 70.915(10) 17 18_554 Al1 K2 Al1 122.989(5) 26 18_554 Si1 K2 Al1 70.915(10) 17 18_554 Si1 K2 Al1 122.989(5) 26 18_554 Al1 K2 Al1 84.896(8) 42_666 18_554 Si1 K2 Al1 84.896(8) 42_666 18_554 Al1 K2 Al1 98.294(9) 25_565 18_554 Si1 K2 Al1 98.294(9) 25_565 18_554 Al1 K2 Si1 70.915(10) 17 18_554 Al1 K2 Si1 122.989(5) 26 18_554 Si1 K2 Si1 70.915(10) 17 18_554 Si1 K2 Si1 122.989(5) 26 18_554 Al1 K2 Si1 84.896(8) 42_666 18_554 Si1 K2 Si1 84.896(8) 42_666 18_554 Al1 K2 Si1 98.294(9) 25_565 18_554 Si1 K2 Si1 98.294(9) 25_565 18_554 Al1 K2 Si1 0.000(14) 18_554 18_554 Al1 K2 Al1 84.896(8) 17 41_665 Al1 K2 Al1 98.294(9) 26 41_665 Si1 K2 Al1 84.896(8) 17 41_665 Si1 K2 Al1 98.294(9) 26 41_665 Al1 K2 Al1 70.915(10) 42_666 41_665 Si1 K2 Al1 70.915(10) 42_666 41_665 Al1 K2 Al1 122.989(5) 25_565 41_665 Si1 K2 Al1 122.989(5) 25_565 41_665 Al1 K2 Al1 40.359(11) 18_554 41_665 Si1 K2 Al1 40.359(11) 18_554 41_665 Al1 K2 Si1 84.896(8) 17 41_665 Al1 K2 Si1 98.294(9) 26 41_665 Si1 K2 Si1 84.896(8) 17 41_665 Si1 K2 Si1 98.294(9) 26 41_665 Al1 K2 Si1 70.915(10) 42_666 41_665 Si1 K2 Si1 70.915(10) 42_666 41_665 Al1 K2 Si1 122.989(5) 25_565 41_665 Si1 K2 Si1 122.989(5) 25_565 41_665 Al1 K2 Si1 40.359(11) 18_554 41_665 Si1 K2 Si1 40.359(11) 18_554 41_665 Al1 K2 Si1 0.000(9) 41_665 41_665 Si2 Si1 Si2 106.786(17) 28 . Si2 Si1 Al1 107.079(10) 28 26 Si2 Si1 Al1 107.079(10) . 26 Si2 Si1 Si1 107.079(10) 28 26 Si2 Si1 Si1 107.079(10) . 26 Al1 Si1 Si1 0.0 26 26 Si2 Si1 Si3 105.367(14) 28 . Si2 Si1 Si3 105.366(14) . . Al1 Si1 Si3 124.111(8) 26 . Si1 Si1 Si3 124.111(8) 26 . Si2 Si1 K1 67.743(13) 28 . Si2 Si1 K1 67.744(13) . . Al1 Si1 K1 68.936(6) 26 . Si1 Si1 K1 68.936(6) 26 . Si3 Si1 K1 166.953(14) . . Si2 Si1 K2 174.107(12) 28 . Si2 Si1 K2 79.049(6) . . Al1 Si1 K2 69.820(6) 26 . Si1 Si1 K2 69.820(6) 26 . Si3 Si1 K2 73.331(7) . . K1 Si1 K2 114.668(7) . . Si2 Si1 K2 79.050(6) 28 25_565 Si2 Si1 K2 174.106(12) . 25_565 Al1 Si1 K2 69.820(6) 26 25_565 Si1 Si1 K2 69.820(6) 26 25_565 Si3 Si1 K2 73.331(7) . 25_565 K1 Si1 K2 114.668(7) . 25_565 K2 Si1 K2 95.104(8) . 25_565 Si2 Si2 Si1 109.475(13) 14 . Si2 Si2 Al1 109.475(13) 14 9 Si1 Si2 Al1 109.468(13) . 9 Si2 Si2 Al1 109.475(13) 14 5 Si1 Si2 Al1 109.467(13) . 5 Al1 Si2 Al1 109.467(13) 9 5 Si2 Si2 Si1 109.475(13) 14 9 Si1 Si2 Si1 109.468(13) . 9 Al1 Si2 Si1 0.00(2) 9 9 Al1 Si2 Si1 109.467(13) 5 9 Si2 Si2 Si1 109.475(13) 14 5 Si1 Si2 Si1 109.467(13) . 5 Al1 Si2 Si1 109.467(13) 9 5 Al1 Si2 Si1 0.000(17) 5 5 Si1 Si2 Si1 109.467(13) 9 5 Si2 Si2 K1 180.00(3) 14 . Si1 Si2 K1 70.525(13) . . Al1 Si2 K1 70.525(13) 9 . Al1 Si2 K1 70.525(13) 5 . Si1 Si2 K1 70.525(13) 9 . Si1 Si2 K1 70.525(13) 5 . Si2 Si2 K2 72.160(6) 14 . Si1 Si2 K2 63.585(7) . . Al1 Si2 K2 76.084(9) 9 . Al1 Si2 K2 172.659(9) 5 . Si1 Si2 K2 76.084(9) 9 . Si1 Si2 K2 172.659(9) 5 . K1 Si2 K2 107.840(6) . . Si2 Si2 K2 72.160(6) 14 9 Si1 Si2 K2 172.659(9) . 9 Al1 Si2 K2 63.585(7) 9 9 Al1 Si2 K2 76.084(9) 5 9 Si1 Si2 K2 63.585(7) 9 9 Si1 Si2 K2 76.084(9) 5 9 K1 Si2 K2 107.840(6) . 9 K2 Si2 K2 111.052(6) . 9 Si2 Si2 K2 72.160(6) 14 5 Si1 Si2 K2 76.083(9) . 5 Al1 Si2 K2 172.659(9) 9 5 Al1 Si2 K2 63.585(7) 5 5 Si1 Si2 K2 172.659(9) 9 5 Si1 Si2 K2 63.585(7) 5 5 K1 Si2 K2 107.840(6) . 5 K2 Si2 K2 111.052(6) . 5 K2 Si2 K2 111.052(6) 9 5 Si1 Si3 Al1 108.331(8) . 14 Si1 Si3 Si1 108.331(8) . 14 Al1 Si3 Si1 0.000(14) 14 14 Si1 Si3 Al1 108.331(8) . 13_455 Al1 Si3 Al1 111.777(17) 14 13_455 Si1 Si3 Al1 111.777(17) 14 13_455 Si1 Si3 Si1 108.331(8) . 13_455 Al1 Si3 Si1 111.777(17) 14 13_455 Si1 Si3 Si1 111.777(17) 14 13_455 Al1 Si3 Si1 0.000(9) 13_455 13_455 Si1 Si3 Al1 111.777(17) . 2_565 Al1 Si3 Al1 108.331(8) 14 2_565 Si1 Si3 Al1 108.331(8) 14 2_565 Al1 Si3 Al1 108.331(8) 13_455 2_565 Si1 Si3 Al1 108.331(8) 13_455 2_565 Si1 Si3 Si1 111.777(17) . 2_565 Al1 Si3 Si1 108.331(8) 14 2_565 Si1 Si3 Si1 108.331(8) 14 2_565 Al1 Si3 Si1 108.331(8) 13_455 2_565 Si1 Si3 Si1 108.331(8) 13_455 2_565 Al1 Si3 Si1 0.000(17) 2_565 2_565 Si1 Si3 K2 169.111(8) . 29_566 Al1 Si3 K2 66.637(5) 14 29_566 Si1 Si3 K2 66.637(5) 14 29_566 Al1 Si3 K2 66.637(5) 13_455 29_566 Si1 Si3 K2 66.637(5) 13_455 29_566 Al1 Si3 K2 79.111(8) 2_565 29_566 Si1 Si3 K2 79.111(8) 2_565 29_566 Si1 Si3 K2 66.638(5) . 25_565 Al1 Si3 K2 169.112(8) 14 25_565 Si1 Si3 K2 169.112(8) 14 25_565 Al1 Si3 K2 79.111(8) 13_455 25_565 Si1 Si3 K2 79.111(8) 13_455 25_565 Al1 Si3 K2 66.637(5) 2_565 25_565 Si1 Si3 K2 66.637(5) 2_565 25_565 K2 Si3 K2 120.0 29_566 25_565 Si1 Si3 K2 66.638(5) . . Al1 Si3 K2 79.112(8) 14 . Si1 Si3 K2 79.112(8) 14 . Al1 Si3 K2 169.112(8) 13_455 . Si1 Si3 K2 169.112(8) 13_455 . Al1 Si3 K2 66.637(5) 2_565 . Si1 Si3 K2 66.637(5) 2_565 . K2 Si3 K2 120.0 29_566 . K2 Si3 K2 90.0 25_565 . Si1 Si3 K2 79.111(8) . 5 Al1 Si3 K2 66.637(5) 14 5 Si1 Si3 K2 66.637(5) 14 5 Al1 Si3 K2 66.637(5) 13_455 5 Si1 Si3 K2 66.637(5) 13_455 5 Al1 Si3 K2 169.111(8) 2_565 5 Si1 Si3 K2 169.111(8) 2_565 5 K2 Si3 K2 90.0 29_566 5 K2 Si3 K2 120.0 25_565 5 K2 Si3 K2 120.0 . 5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 K1 Si2 3.3455(7) 25 K1 Si2 3.3455(7) 28 K1 Si2 3.3455(7) 4 K1 Si2 3.3455(7) 27 K1 Si2 3.3455(7) 3 K1 Si2 3.3455(7) 26 K1 Si2 3.3455(7) 2 K1 Si2 3.3455(7) . K1 Si1 3.4080(6) . K1 Si1 3.4080(6) 29 K1 Si1 3.4080(6) 9 K2 Al1 3.5507(6) 17 K2 Al1 3.5507(6) 26 K2 Si1 3.5507(6) 17 K2 Si1 3.5507(6) 26 K2 Al1 3.5507(6) 42_666 K2 Si1 3.5507(6) 42_666 K2 Al1 3.5507(6) 25_565 K2 Si1 3.5507(6) 25_565 K2 Al1 3.5507(6) 18_554 K2 Si1 3.5507(6) 18_554 K2 Al1 3.5507(6) 41_665 K2 Si1 3.5507(6) 41_665 Si1 Si2 2.4062(4) 28 Si1 Si2 2.4062(4) . Si1 Al1 2.4498(8) 26 Si1 Si1 2.4498(8) 26 Si1 Si3 2.4878(5) . Si1 K2 3.5507(6) 25_565 Si2 Si2 2.3851(9) 14 Si2 Al1 2.4062(4) 9 Si2 Al1 2.4062(4) 5 Si2 Si1 2.4062(4) 9 Si2 Si1 2.4062(4) 5 Si2 K2 3.8925(6) 9 Si2 K2 3.8925(6) 5 Si3 Al1 2.4878(5) 14 Si3 Si1 2.4878(5) 14 Si3 Al1 2.4878(5) 13_455 Si3 Si1 2.4878(5) 13_455 Si3 Al1 2.4878(5) 2_565 Si3 Si1 2.4878(5) 2_565 Si3 K2 3.7053(6) 29_566 Si3 K2 3.7053(6) 25_565 Si3 K2 3.7053(6) 5