# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name M.Imai A.Sato H.Udono Y.Imai H.Tajima _publ_contact_author_email IMAI.Motoharu@nims.go.jp _publ_contact_author_name 'Imai, Motoharu' data_kgs1 _database_code_depnum_ccdc_archive 'CCDC 809090' #TrackingRef '- kgs1_121010.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ga8.35 K8 Si37.65' _chemical_formula_weight 1952.41 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 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' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting cubic _symmetry_space_group_name_H-M Pm-3n 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' _cell_length_a 10.4261(2) _cell_length_b 10.4261(2) _cell_length_c 10.4261(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1133.35(4) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description chunk _exptl_crystal_colour grey _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.861 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 937.97 _exptl_absorpt_coefficient_mu 6.608 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.3612 _exptl_absorpt_correction_T_max 0.5276 _exptl_absorpt_process_details 'SADABS (Bruker, 1999)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker SMART APEX CCD area-detector' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8352 _diffrn_reflns_av_R_equivalents 0.0315 _diffrn_reflns_av_sigmaI/netI 0.0105 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.76 _diffrn_reflns_theta_max 30.52 _reflns_number_total 338 _reflns_number_gt 321 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker AXS SMART for WNT/2000 5.625' _computing_cell_refinement 'Bruker AXS SAINT PLUS 6.45' _computing_data_reduction 'Bruker AXS SAINT PLUS 6.45' _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0216P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0253(9) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 338 _refine_ls_number_parameters 19 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0136 _refine_ls_R_factor_gt 0.0130 _refine_ls_wR_factor_ref 0.0327 _refine_ls_wR_factor_gt 0.0326 _refine_ls_goodness_of_fit_ref 1.098 _refine_ls_restrained_S_all 1.098 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 _atom_site_disorder_assembly _atom_site_disorder_group K1 K 0.0000 0.0000 0.0000 0.0127(2) Uani 1 24 d S . . K2 K 0.2500 0.5000 0.0000 0.0266(2) Uani 1 8 d S . . Ga1 Ga 0.2500 0.0000 0.5000 0.00966(14) Uani 0.607(5) 8 d SP . . Si1 Si 0.2500 0.0000 0.5000 0.00966(14) Uani 0.393(5) 8 d SP . . Ga2 Ga 0.18442(2) 0.18442(2) 0.18442(2) 0.00881(15) Uani 0.0259(19) 3 d SP . . Si2 Si 0.18442(2) 0.18442(2) 0.18442(2) 0.00881(15) Uani 0.9741(19) 3 d SP . . Ga3 Ga 0.0000 0.30577(2) 0.11804(3) 0.00954(12) Uani 0.179(2) 2 d SP . . Si3 Si 0.0000 0.30577(2) 0.11804(3) 0.00954(12) Uani 0.821(2) 2 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 0.0127(2) 0.0127(2) 0.0127(2) 0.000 0.000 0.000 K2 0.0179(3) 0.0310(3) 0.0310(3) 0.000 0.000 0.000 Ga1 0.0107(2) 0.00915(16) 0.00915(16) 0.000 0.000 0.000 Si1 0.0107(2) 0.00915(16) 0.00915(16) 0.000 0.000 0.000 Ga2 0.00881(15) 0.00881(15) 0.00881(15) -0.00051(8) -0.00051(8) -0.00051(8) Si2 0.00881(15) 0.00881(15) 0.00881(15) -0.00051(8) -0.00051(8) -0.00051(8) Ga3 0.00928(15) 0.00978(16) 0.00955(16) -0.00018(9) 0.000 0.000 Si3 0.00928(15) 0.00978(16) 0.00955(16) -0.00018(9) 0.000 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag K1 Ga2 3.3303(4) . ? K1 Si2 3.3303(4) 25 ? K1 Ga2 3.3303(4) 25 ? K1 Si2 3.3303(4) 28 ? K1 Si2 3.3303(4) 4 ? K1 Ga2 3.3303(4) 2 ? K1 Ga2 3.3303(4) 26 ? K1 Ga2 3.3303(4) 3 ? K1 Ga2 3.3303(4) 27 ? K1 Ga2 3.3303(4) 4 ? K1 Ga2 3.3303(4) 28 ? K2 Si3 3.52269(19) 17 ? K2 Si3 3.52269(19) 26 ? K2 Ga3 3.52269(19) 17 ? K2 Ga3 3.52269(19) 26 ? K2 Ga3 3.52269(19) . ? K2 Si3 3.52269(19) 42_666 ? K2 Si3 3.52268(19) 25_565 ? K2 Ga3 3.52269(19) 42_666 ? K2 Ga3 3.52268(19) 25_565 ? K2 Si3 3.52268(19) 41_665 ? K2 Si3 3.52268(19) 2_565 ? Ga1 Si3 2.4482(3) 45_666 ? Ga1 Si3 2.4482(3) 5 ? Ga1 Ga3 2.4482(3) 45_666 ? Ga1 Ga3 2.4482(3) 5 ? Ga1 Si3 2.4482(3) 46_656 ? Ga1 Si3 2.4482(3) 6_556 ? Ga1 Ga3 2.4482(3) 6_556 ? Ga1 Ga3 2.4482(3) 46_656 ? Ga1 K2 3.6862 33_656 ? Ga1 K2 3.6862 29_556 ? Ga1 K2 3.6862 9 ? Ga1 K2 3.6862 5 ? Ga2 Si2 2.3687(9) 14 ? Ga2 Ga2 2.3687(9) 14 ? Ga2 Si3 2.4035(2) 9 ? Ga2 Si3 2.4035(2) 5 ? Ga2 Ga3 2.4035(2) 9 ? Ga2 Ga3 2.4035(2) 5 ? Ga2 Ga3 2.4035(2) . ? Ga2 K2 3.87178(15) 5 ? Ga2 K2 3.87178(15) 9 ? Ga3 Si2 2.4035(2) 28 ? Ga3 Ga2 2.4035(2) 28 ? Ga3 Si1 2.4482(3) 9 ? Ga3 Ga1 2.4482(3) 9 ? Ga3 Si3 2.4613(5) 26 ? Ga3 Ga3 2.4613(5) 26 ? Ga3 K2 3.52269(19) 25_565 ? Ga3 K2 4.0246(3) 5 ? 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 _geom_angle_publ_flag Ga2 K1 Si2 180.000(14) . 25 ? Ga2 K1 Ga2 180.000(14) . 25 ? Si2 K1 Ga2 0.000(14) 25 25 ? Ga2 K1 Si2 70.5 . 28 ? Si2 K1 Si2 109.5 25 28 ? Ga2 K1 Si2 109.5 25 28 ? Ga2 K1 Si2 109.5 . 4 ? Si2 K1 Si2 70.5 25 4 ? Ga2 K1 Si2 70.5 25 4 ? Si2 K1 Si2 180.000(14) 28 4 ? Ga2 K1 Ga2 109.5 . 2 ? Si2 K1 Ga2 70.5 25 2 ? Ga2 K1 Ga2 70.5 25 2 ? Si2 K1 Ga2 70.5 28 2 ? Si2 K1 Ga2 109.5 4 2 ? Ga2 K1 Ga2 70.5 . 26 ? Si2 K1 Ga2 109.5 25 26 ? Ga2 K1 Ga2 109.5 25 26 ? Si2 K1 Ga2 109.5 28 26 ? Si2 K1 Ga2 70.5 4 26 ? Ga2 K1 Ga2 180.00(2) 2 26 ? Ga2 K1 Ga2 109.5 . 3 ? Si2 K1 Ga2 70.5 25 3 ? Ga2 K1 Ga2 70.5 25 3 ? Si2 K1 Ga2 70.5 28 3 ? Si2 K1 Ga2 109.5 4 3 ? Ga2 K1 Ga2 109.5 2 3 ? Ga2 K1 Ga2 70.5 26 3 ? Ga2 K1 Ga2 70.5 . 27 ? Si2 K1 Ga2 109.5 25 27 ? Ga2 K1 Ga2 109.5 25 27 ? Si2 K1 Ga2 109.5 28 27 ? Si2 K1 Ga2 70.5 4 27 ? Ga2 K1 Ga2 70.5 2 27 ? Ga2 K1 Ga2 109.5 26 27 ? Ga2 K1 Ga2 180.00(2) 3 27 ? Ga2 K1 Ga2 109.5 . 4 ? Si2 K1 Ga2 70.5 25 4 ? Ga2 K1 Ga2 70.5 25 4 ? Si2 K1 Ga2 180.000(14) 28 4 ? Si2 K1 Ga2 0.000(14) 4 4 ? Ga2 K1 Ga2 109.5 2 4 ? Ga2 K1 Ga2 70.5 26 4 ? Ga2 K1 Ga2 109.5 3 4 ? Ga2 K1 Ga2 70.5 27 4 ? Ga2 K1 Ga2 70.5 . 28 ? Si2 K1 Ga2 109.5 25 28 ? Ga2 K1 Ga2 109.5 25 28 ? Si2 K1 Ga2 0.000(14) 28 28 ? Si2 K1 Ga2 180.000(14) 4 28 ? Ga2 K1 Ga2 70.5 2 28 ? Ga2 K1 Ga2 109.5 26 28 ? Ga2 K1 Ga2 70.5 3 28 ? Ga2 K1 Ga2 109.5 27 28 ? Ga2 K1 Ga2 180.000(14) 4 28 ? Si3 K2 Si3 161.649(8) 17 26 ? Si3 K2 Ga3 0.000(11) 17 17 ? Si3 K2 Ga3 161.649(8) 26 17 ? Si3 K2 Ga3 161.649(8) 17 26 ? Si3 K2 Ga3 0.000(8) 26 26 ? Ga3 K2 Ga3 161.649(8) 17 26 ? Si3 K2 Ga3 123.195(4) 17 . ? Si3 K2 Ga3 40.895(8) 26 . ? Ga3 K2 Ga3 123.195(4) 17 . ? Ga3 K2 Ga3 40.895(8) 26 . ? Si3 K2 Si3 40.895(8) 17 42_666 ? Si3 K2 Si3 123.195(4) 26 42_666 ? Ga3 K2 Si3 40.895(8) 17 42_666 ? Ga3 K2 Si3 123.195(4) 26 42_666 ? Ga3 K2 Si3 98.385(7) . 42_666 ? Si3 K2 Si3 123.195(4) 17 25_565 ? Si3 K2 Si3 70.179(7) 26 25_565 ? Ga3 K2 Si3 123.195(4) 17 25_565 ? Ga3 K2 Si3 70.179(7) 26 25_565 ? Ga3 K2 Si3 84.550(6) . 25_565 ? Si3 K2 Si3 161.649(8) 42_666 25_565 ? Si3 K2 Ga3 40.895(8) 17 42_666 ? Si3 K2 Ga3 123.195(4) 26 42_666 ? Ga3 K2 Ga3 40.895(8) 17 42_666 ? Ga3 K2 Ga3 123.195(4) 26 42_666 ? Ga3 K2 Ga3 98.385(7) . 42_666 ? Si3 K2 Ga3 0.000(11) 42_666 42_666 ? Si3 K2 Ga3 161.649(8) 25_565 42_666 ? Si3 K2 Ga3 123.195(4) 17 25_565 ? Si3 K2 Ga3 70.179(7) 26 25_565 ? Ga3 K2 Ga3 123.195(4) 17 25_565 ? Ga3 K2 Ga3 70.179(7) 26 25_565 ? Ga3 K2 Ga3 84.550(6) . 25_565 ? Si3 K2 Ga3 161.649(8) 42_666 25_565 ? Si3 K2 Ga3 0.0 25_565 25_565 ? Ga3 K2 Ga3 161.649(8) 42_666 25_565 ? Si3 K2 Si3 84.550(6) 17 41_665 ? Si3 K2 Si3 98.385(7) 26 41_665 ? Ga3 K2 Si3 84.550(6) 17 41_665 ? Ga3 K2 Si3 98.385(7) 26 41_665 ? Ga3 K2 Si3 123.195(4) . 41_665 ? Si3 K2 Si3 70.180(7) 42_666 41_665 ? Si3 K2 Si3 123.195(4) 25_565 41_665 ? Ga3 K2 Si3 70.180(7) 42_666 41_665 ? Ga3 K2 Si3 123.195(4) 25_565 41_665 ? Si3 K2 Si3 98.385(7) 17 2_565 ? Si3 K2 Si3 84.550(6) 26 2_565 ? Ga3 K2 Si3 98.385(7) 17 2_565 ? Ga3 K2 Si3 84.550(6) 26 2_565 ? Ga3 K2 Si3 70.180(7) . 2_565 ? Si3 K2 Si3 123.195(4) 42_666 2_565 ? Si3 K2 Si3 40.895(8) 25_565 2_565 ? Ga3 K2 Si3 123.195(4) 42_666 2_565 ? Ga3 K2 Si3 40.895(8) 25_565 2_565 ? Si3 K2 Si3 161.649(8) 41_665 2_565 ? Si3 Ga1 Si3 108.411(6) 45_666 5 ? Si3 Ga1 Ga3 0.000(7) 45_666 45_666 ? Si3 Ga1 Ga3 108.411(6) 5 45_666 ? Si3 Ga1 Ga3 108.411(6) 45_666 5 ? Si3 Ga1 Ga3 0.000(10) 5 5 ? Ga3 Ga1 Ga3 108.411(6) 45_666 5 ? Si3 Ga1 Si3 111.614(13) 45_666 46_656 ? Si3 Ga1 Si3 108.411(6) 5 46_656 ? Ga3 Ga1 Si3 111.614(13) 45_666 46_656 ? Ga3 Ga1 Si3 108.411(6) 5 46_656 ? Si3 Ga1 Si3 108.411(6) 45_666 6_556 ? Si3 Ga1 Si3 111.614(13) 5 6_556 ? Ga3 Ga1 Si3 108.411(6) 45_666 6_556 ? Ga3 Ga1 Si3 111.614(13) 5 6_556 ? Si3 Ga1 Si3 108.411(6) 46_656 6_556 ? Si3 Ga1 Ga3 108.411(6) 45_666 6_556 ? Si3 Ga1 Ga3 111.614(13) 5 6_556 ? Ga3 Ga1 Ga3 108.411(6) 45_666 6_556 ? Ga3 Ga1 Ga3 111.614(13) 5 6_556 ? Si3 Ga1 Ga3 108.411(6) 46_656 6_556 ? Si3 Ga1 Ga3 0.000(10) 6_556 6_556 ? Si3 Ga1 Ga3 111.614(13) 45_666 46_656 ? Si3 Ga1 Ga3 108.411(6) 5 46_656 ? Ga3 Ga1 Ga3 111.614(13) 45_666 46_656 ? Ga3 Ga1 Ga3 108.411(6) 5 46_656 ? Si3 Ga1 Ga3 0.000(7) 46_656 46_656 ? Si3 Ga1 Ga3 108.411(6) 6_556 46_656 ? Ga3 Ga1 Ga3 108.411(6) 6_556 46_656 ? Si3 Ga1 K2 66.585(4) 45_666 33_656 ? Si3 Ga1 K2 169.193(6) 5 33_656 ? Ga3 Ga1 K2 66.585(4) 45_666 33_656 ? Ga3 Ga1 K2 169.193(6) 5 33_656 ? Si3 Ga1 K2 66.585(4) 46_656 33_656 ? Si3 Ga1 K2 79.193(6) 6_556 33_656 ? Ga3 Ga1 K2 79.193(6) 6_556 33_656 ? Ga3 Ga1 K2 66.585(4) 46_656 33_656 ? Si3 Ga1 K2 169.193(6) 45_666 29_556 ? Si3 Ga1 K2 66.585(4) 5 29_556 ? Ga3 Ga1 K2 169.193(6) 45_666 29_556 ? Ga3 Ga1 K2 66.585(4) 5 29_556 ? Si3 Ga1 K2 79.193(6) 46_656 29_556 ? Si3 Ga1 K2 66.585(4) 6_556 29_556 ? Ga3 Ga1 K2 66.585(4) 6_556 29_556 ? Ga3 Ga1 K2 79.193(6) 46_656 29_556 ? K2 Ga1 K2 120.0 33_656 29_556 ? Si3 Ga1 K2 66.585(4) 45_666 9 ? Si3 Ga1 K2 79.193(6) 5 9 ? Ga3 Ga1 K2 66.585(4) 45_666 9 ? Ga3 Ga1 K2 79.193(6) 5 9 ? Si3 Ga1 K2 66.585(4) 46_656 9 ? Si3 Ga1 K2 169.193(6) 6_556 9 ? Ga3 Ga1 K2 169.193(6) 6_556 9 ? Ga3 Ga1 K2 66.585(4) 46_656 9 ? K2 Ga1 K2 90.0 33_656 9 ? K2 Ga1 K2 120.0 29_556 9 ? Si3 Ga1 K2 79.193(6) 45_666 5 ? Si3 Ga1 K2 66.585(4) 5 5 ? Ga3 Ga1 K2 79.193(6) 45_666 5 ? Ga3 Ga1 K2 66.585(4) 5 5 ? Si3 Ga1 K2 169.193(6) 46_656 5 ? Si3 Ga1 K2 66.585(4) 6_556 5 ? Ga3 Ga1 K2 66.585(4) 6_556 5 ? Ga3 Ga1 K2 169.193(6) 46_656 5 ? K2 Ga1 K2 120.0 33_656 5 ? K2 Ga1 K2 90.0 29_556 5 ? K2 Ga1 K2 120.0 9 5 ? Si2 Ga2 Ga2 0.000(19) 14 14 ? Si2 Ga2 Si3 108.916(11) 14 9 ? Ga2 Ga2 Si3 108.916(11) 14 9 ? Si2 Ga2 Si3 108.916(11) 14 5 ? Ga2 Ga2 Si3 108.916(11) 14 5 ? Si3 Ga2 Si3 110.021(11) 9 5 ? Si2 Ga2 Ga3 108.916(11) 14 9 ? Ga2 Ga2 Ga3 108.916(11) 14 9 ? Si3 Ga2 Ga3 0.000(17) 9 9 ? Si3 Ga2 Ga3 110.021(11) 5 9 ? Si2 Ga2 Ga3 108.916(11) 14 5 ? Ga2 Ga2 Ga3 108.916(11) 14 5 ? Si3 Ga2 Ga3 110.021(11) 9 5 ? Si3 Ga2 Ga3 0.000(12) 5 5 ? Ga3 Ga2 Ga3 110.021(11) 9 5 ? Si2 Ga2 Ga3 108.916(11) 14 . ? Ga2 Ga2 Ga3 108.916(11) 14 . ? Si3 Ga2 Ga3 110.021(11) 9 . ? Si3 Ga2 Ga3 110.021(11) 5 . ? Ga3 Ga2 Ga3 110.021(11) 9 . ? Ga3 Ga2 Ga3 110.021(11) 5 . ? Si2 Ga2 K1 180.00(3) 14 . ? Ga2 Ga2 K1 180.00(3) 14 . ? Si3 Ga2 K1 71.084(11) 9 . ? Si3 Ga2 K1 71.084(11) 5 . ? Ga3 Ga2 K1 71.084(11) 9 . ? Ga3 Ga2 K1 71.084(11) 5 . ? Ga3 Ga2 K1 71.084(11) . . ? Si2 Ga2 K2 72.188(6) 14 . ? Ga2 Ga2 K2 72.188(6) 14 . ? Si3 Ga2 K2 75.786(6) 9 . ? Si3 Ga2 K2 172.800(6) 5 . ? Ga3 Ga2 K2 75.786(6) 9 . ? Ga3 Ga2 K2 172.800(6) 5 . ? Ga3 Ga2 K2 63.315(5) . . ? K1 Ga2 K2 107.812(6) . . ? Si2 Ga2 K2 72.188(6) 14 5 ? Ga2 Ga2 K2 72.188(6) 14 5 ? Si3 Ga2 K2 172.800(6) 9 5 ? Si3 Ga2 K2 63.315(5) 5 5 ? Ga3 Ga2 K2 172.800(6) 9 5 ? Ga3 Ga2 K2 63.315(5) 5 5 ? Ga3 Ga2 K2 75.786(6) . 5 ? K1 Ga2 K2 107.812(6) . 5 ? K2 Ga2 K2 111.078(6) . 5 ? Si2 Ga2 K2 72.188(6) 14 9 ? Ga2 Ga2 K2 72.188(6) 14 9 ? Si3 Ga2 K2 63.315(5) 9 9 ? Si3 Ga2 K2 75.786(6) 5 9 ? Ga3 Ga2 K2 63.315(5) 9 9 ? Ga3 Ga2 K2 75.786(6) 5 9 ? Ga3 Ga2 K2 172.800(6) . 9 ? K1 Ga2 K2 107.812(6) . 9 ? K2 Ga2 K2 111.078(6) . 9 ? K2 Ga2 K2 111.078(6) 5 9 ? Si2 Ga3 Ga2 0.000(3) 28 28 ? Si2 Ga3 Ga2 106.256(15) 28 . ? Ga2 Ga3 Ga2 106.256(15) 28 . ? Si2 Ga3 Si1 105.879(12) 28 9 ? Ga2 Ga3 Si1 105.879(12) 28 9 ? Ga2 Ga3 Si1 105.879(12) . 9 ? Si2 Ga3 Ga1 105.879(12) 28 9 ? Ga2 Ga3 Ga1 105.879(12) 28 9 ? Ga2 Ga3 Ga1 105.879(12) . 9 ? Si1 Ga3 Ga1 0.0 9 9 ? Si2 Ga3 Si3 106.735(8) 28 26 ? Ga2 Ga3 Si3 106.735(8) 28 26 ? Ga2 Ga3 Si3 106.735(8) . 26 ? Si1 Ga3 Si3 124.193(6) 9 26 ? Ga1 Ga3 Si3 124.193(6) 9 26 ? Si2 Ga3 Ga3 106.735(8) 28 26 ? Ga2 Ga3 Ga3 106.735(8) 28 26 ? Ga2 Ga3 Ga3 106.735(8) . 26 ? Si1 Ga3 Ga3 124.193(6) 9 26 ? Ga1 Ga3 Ga3 124.193(6) 9 26 ? Si3 Ga3 Ga3 0.000(12) 26 26 ? Si2 Ga3 K1 67.207(11) 28 . ? Ga2 Ga3 K1 67.207(11) 28 . ? Ga2 Ga3 K1 67.207(11) . . ? Si1 Ga3 K1 166.915(11) 9 . ? Ga1 Ga3 K1 166.915(11) 9 . ? Si3 Ga3 K1 68.892(5) 26 . ? Ga3 Ga3 K1 68.892(5) 26 . ? Si2 Ga3 K2 174.348(9) 28 . ? Ga2 Ga3 K2 174.348(9) 28 . ? Ga2 Ga3 K2 79.123(5) . . ? Si1 Ga3 K2 73.790(5) 9 . ? Ga1 Ga3 K2 73.790(5) 9 . ? Si3 Ga3 K2 69.552(4) 26 . ? Ga3 Ga3 K2 69.552(4) 26 . ? K1 Ga3 K2 114.235(5) . . ? Si2 Ga3 K2 79.123(5) 28 25_565 ? Ga2 Ga3 K2 79.123(5) 28 25_565 ? Ga2 Ga3 K2 174.348(9) . 25_565 ? Si1 Ga3 K2 73.790(5) 9 25_565 ? Ga1 Ga3 K2 73.790(5) 9 25_565 ? Si3 Ga3 K2 69.552(4) 26 25_565 ? Ga3 Ga3 K2 69.552(4) 26 25_565 ? K1 Ga3 K2 114.235(5) . 25_565 ? K2 Ga3 K2 95.450(6) . 25_565 ? Si2 Ga3 K2 68.839(7) 28 5 ? Ga2 Ga3 K2 68.839(7) 28 5 ? Ga2 Ga3 K2 68.839(7) . 5 ? Si1 Ga3 K2 64.114(6) 9 5 ? Ga1 Ga3 K2 64.114(6) 9 5 ? Si3 Ga3 K2 171.693(4) 26 5 ? Ga3 Ga3 K2 171.693(4) 26 5 ? K1 Ga3 K2 102.801(7) . 5 ? K2 Ga3 K2 115.388(5) . 5 ? K2 Ga3 K2 115.388(5) 25_565 5 ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 30.52 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.275 _refine_diff_density_min -0.297 _refine_diff_density_rms 0.066