# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21
_database_code_depnum_ccdc_archive 'CCDC 1857190'
_audit_update_record             
;
2018-07-21 deposited with the CCDC.
2018-08-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge3 K2 Mn S8'
_chemical_formula_weight         607.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.1978(14)
_cell_length_b                   11.953(2)
_cell_length_c                   33.636(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.13(3)
_cell_angle_gamma                90.00
_cell_volume                     2877.4(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    8190
_cell_measurement_theta_min      1.2177
_cell_measurement_theta_max      27.4816

_exptl_crystal_description       Prism
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.804
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2296
_exptl_absorpt_coefficient_mu    8.762
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5498
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(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  
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19139
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_av_sigmaI/netI    0.1042
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         0.61
_diffrn_reflns_theta_max         24.71
_reflns_number_total             9609
_reflns_number_gt                7321
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0400P)²+33.0000P] where P=(Fo²+2Fc²)/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       0.000171(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_number_reflns         9609
_refine_ls_number_parameters     506
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0680
_refine_ls_wR_factor_ref         0.1520
_refine_ls_wR_factor_gt          0.1369
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.008

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 0.8038(4) 0.91261(18) 0.53908(7) 0.0317(6) Uani 1 1 d . . .
K2 K -0.1568(3) 0.57015(19) 0.59640(6) 0.0264(6) Uani 1 1 d . . .
K3 K 0.3027(3) 0.9062(2) 0.03942(7) 0.0347(3) Uani 1 1 d U . .
K4 K 0.6161(3) 0.8673(2) 0.35208(7) 0.0309(6) Uani 1 1 d . . .
K5 K 1.1094(3) 0.86569(18) -0.14767(6) 0.0251(6) Uani 1 1 d . . .
K6 K 1.3481(3) 0.56734(18) 0.09546(6) 0.0286(6) Uani 1 1 d . . .
K7 K 1.0651(3) 0.53410(18) -0.20943(6) 0.0287(6) Uani 1 1 d . . .
K8 K 0.5685(3) 0.5335(2) 0.29004(7) 0.0321(6) Uani 1 1 d . . .
Mn1 Mn 1.01132(17) 0.71059(10) -0.05300(4) 0.0111(2) Uani 1 1 d U . .
Mn2 Mn 0.51154(19) 0.71097(12) 0.44679(4) 0.0177(2) Uani 1 1 d U . .
Mn3 Mn 0.20478(16) 0.72214(9) 0.70345(3) 0.0066(2) Uani 1 1 d U . .
Mn4 Mn 0.6981(2) 0.7171 0.20332(4) 0.0222(3) Uani 1 1 d U . .
Ge1 Ge 1.01045(12) 0.74307(7) 0.45152(3) 0.0127(2) Uani 1 1 d . . .
Ge2 Ge 0.18173(14) 0.65296(8) 0.36454(3) 0.0155(2) Uani 1 1 d . . .
Ge3 Ge 0.30769(12) 0.67523(8) 0.53600(3) 0.0152(2) Uani 1 1 d . . .
Ge4 Ge 0.03642(13) 0.76049(8) 0.28640(3) 0.0135(2) Uani 1 1 d . . .
Ge5 Ge 0.20007(12) 0.69327(8) 0.19654(3) 0.01225(18) Uani 1 1 d U . .
Ge6 Ge 0.38194(14) 0.78695(8) 0.61727(3) 0.0190(3) Uani 1 1 d . . .
Ge7 Ge 0.53846(13) 0.76090(9) -0.21365(3) 0.0167(3) Uani 1 1 d . . .
Ge8 Ge 0.88314(13) 0.78854(8) 0.11705(3) 0.01212(18) Uani 1 1 d U . .
Ge9 Ge 1.51123(13) 0.74063(8) -0.04861(3) 0.0141(2) Uani 1 1 d . . .
Ge10 Ge 0.81421(14) 0.67545(8) 0.03652(3) 0.0155(2) Uani 1 1 d . . .
Ge11 Ge -0.30050(13) 0.69446(8) 0.69599(3) 0.0155(2) Uani 1 1 d . . .
Ge12 Ge 0.68268(13) 0.65183(8) -0.13516(3) 0.0143(2) Uani 1 1 d . . .
S1 S 1.5150(3) 0.6528(2) 0.01108(7) 0.0202(3) Uani 1 1 d U . .
S2 S 0.9693(3) 0.60925(19) -0.11626(6) 0.0164(3) Uani 1 1 d U . .
S3 S 1.2571(3) 0.8407(2) 0.45142(7) 0.0204(3) Uani 1 1 d U . .
S4 S -0.0519(4) 0.5888(3) 0.69559(8) 0.0344(3) Uani 1 1 d U . .
S5 S 0.4459(2) 0.58993(15) 0.19643(5) 0.0018(3) Uani 1 1 d U . .
S6 S 0.0881(3) 0.57999(19) 0.30533(6) 0.0160(3) Uani 1 1 d U . .
S7 S 1.0245(4) 0.5998(2) 0.00681(7) 0.0296(3) Uani 1 1 d U . .
S8 S -0.0474(3) 0.58869(17) 0.19990(5) 0.0068(3) Uani 1 1 d U . .
S9 S -0.5375(3) 0.5919(2) 0.70249(7) 0.0252(3) Uani 1 1 d U . .
S10 S 0.3235(4) 0.6083(2) 0.59915(8) 0.0299(3) Uani 1 1 d U . .
S11 S 0.7601(3) 0.84438(18) -0.05025(6) 0.0106(3) Uani 1 1 d U . .
S12 S 1.0157(3) 0.64806(19) 0.51016(6) 0.0145(3) Uani 1 1 d U . .
S13 S 1.4780(3) 0.6004(2) -0.09346(7) 0.0246(3) Uani 1 1 d U . .
S14 S 0.6782(3) 0.86380(19) 0.15251(6) 0.0174(3) Uani 1 1 d U . .
S15 S 0.4746(4) 0.6134(2) 0.38338(7) 0.0247(3) Uani 1 1 d U . .
S16 S 1.2589(3) 0.84766(18) -0.05340(6) 0.0107(3) Uani 1 1 d U . .
S17 S 0.8509(3) 0.8579(2) 0.05405(7) 0.0207(3) Uani 1 1 d U . .
S18 S 0.1928(3) 0.8642(2) 0.65309(7) 0.0183(3) Uani 1 1 d U . .
S19 S 0.2283(3) 0.82705(19) 0.24368(6) 0.0166(3) Uani 1 1 d U . .
S20 S -0.2535(3) 0.81076(19) 0.26847(7) 0.0189(3) Uani 1 1 d U . .
S21 S 0.5926(3) 0.5838(2) -0.19707(7) 0.0166(3) Uani 1 1 d U . .
S22 S 0.6882(3) 0.7977(2) 0.63849(7) 0.0203(3) Uani 1 1 d U . .
S23 S 0.7407(3) 0.82298(19) -0.25378(7) 0.0180(3) Uani 1 1 d U . .
S24 S 0.5155(3) 0.58729(18) 0.50447(6) 0.0112(3) Uani 1 1 d U . .
S25 S 0.2464(3) 0.7976(2) -0.22971(7) 0.0199(3) Uani 1 1 d U . .
S26 S 0.7664(3) 0.8466(2) 0.44585(7) 0.0221(3) Uani 1 1 d U . .
S27 S 0.1824(3) 0.80158(19) 0.14019(6) 0.0152(3) Uani 1 1 d U . .
S28 S 0.9771(3) 0.60044(18) 0.40713(6) 0.0118(3) Uani 1 1 d U . .
S29 S 0.3670(3) 0.85330(19) 0.55473(6) 0.0149(3) Uani 1 1 d U . .
S30 S 1.1276(3) 0.83184(18) 0.34720(6) 0.0111(3) Uani 1 1 d U . .
S31 S 0.6396(3) 0.8340(2) -0.15248(7) 0.0209(3) Uani 1 1 d U . .
S32 S 0.8141(3) 0.60820(16) 0.09879(5) 0.0068(3) Uani 1 1 d U . .


_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 S28 3.193(3) 2_756 ?
K1 S26 3.217(3) . ?
K1 S29 3.319(3) . ?
K1 S24 3.327(3) 2_656 ?
K1 S12 3.579(3) 2_756 ?
K1 S12 3.686(3) . ?
K1 S22 3.789(3) . ?
K1 Ge1 3.991(3) . ?
K1 K2 4.521(3) 1_655 ?
K2 S3 3.222(3) 2_646 ?
K2 S22 3.314(3) 1_455 ?
K2 S4 3.349(3) . ?
K2 S12 3.405(3) 1_455 ?
K2 S30 3.416(3) 2_646 ?
K2 S10 3.479(4) . ?
K2 S24 3.689(3) 1_455 ?
K2 S10 3.779(4) 1_455 ?
K2 Ge11 3.904(2) . ?
K2 K1 4.521(3) 1_455 ?
K2 K4 4.586(3) 2_546 ?
K2 K4 4.753(3) 2_646 ?
K3 S16 3.182(3) 1_455 ?
K3 S13 3.252(3) 2_755 ?
K3 S17 3.390(4) 1_455 ?
K3 S7 3.541(4) 2_655 ?
K3 S1 3.568(4) 1_455 ?
K3 S1 3.711(4) 2_755 ?
K3 S27 3.799(3) . ?
K3 Ge9 3.985(3) 1_455 ?
K3 K6 4.464(3) 1_455 ?
K4 S20 3.132(3) 1_655 ?
K4 S26 3.233(3) . ?
K4 S9 3.267(3) 2_556 ?
K4 S10 3.321(4) 2_656 ?
K4 S15 3.405(3) . ?
K4 S30 3.528(3) 1_455 ?
K4 S30 3.727(3) . ?
K4 Mn2 3.837(3) . ?
K4 K8 4.499(3) . ?
K4 K2 4.586(3) 2_556 ?
K4 K2 4.753(3) 2_656 ?
K5 S25 3.136(3) 1_655 ?
K5 S8 3.198(3) 2_655 ?
K5 S16 3.245(3) . ?
K5 S32 3.349(3) 2_755 ?
K5 S31 3.390(3) . ?
K5 S2 3.429(3) . ?
K5 Mn1 3.815(3) . ?
K5 K7 4.471(3) . ?
K5 K6 4.580(3) 2_755 ?
K5 K6 4.762(3) 2_855 ?
K6 S11 3.125(3) 2_745 ?
K6 S1 3.357(3) . ?
K6 S31 3.380(3) 2_745 ?
K6 S32 3.380(3) 1_655 ?
K6 S5 3.405(3) 1_655 ?
K6 S27 3.451(3) 1_655 ?
K6 S7 3.603(3) . ?
K6 Ge5 3.967(3) 1_655 ?
K6 K3 4.464(3) 1_655 ?
K6 K5 4.580(3) 2_745 ?
K6 K5 4.762(3) 2_845 ?
K7 S14 3.236(3) 2_745 ?
K7 S4 3.282(3) 1_654 ?
K7 S19 3.375(3) 2_645 ?
K7 S2 3.401(3) . ?
K7 S25 3.504(3) 1_655 ?
K7 S21 3.520(3) . ?
K7 S20 3.672(3) 2_645 ?
K7 Mn3 3.909(2) 1_654 ?
K8 S18 3.163(3) 2_646 ?
K8 S5 3.249(3) . ?
K8 S15 3.417(3) . ?
K8 S23 3.492(3) 2_645 ?
K8 S6 3.593(3) . ?
K8 S20 3.653(3) 1_655 ?
K8 S6 3.762(3) 1_655 ?
K8 S25 3.798(3) 2_645 ?
K8 Mn4 3.843(3) . ?
K8 Mn3 4.061(3) 2_646 ?
Mn1 S7 2.402(3) . ?
Mn1 S16 2.422(2) . ?
Mn1 S11 2.423(2) . ?
Mn1 S2 2.439(2) . ?
Mn2 S3 2.417(3) 1_455 ?
Mn2 S15 2.421(3) . ?
Mn2 S24 2.437(2) . ?
Mn2 S26 2.451(3) . ?
Mn3 S18 2.393(3) . ?
Mn3 S25 2.411(3) 1_556 ?
Mn3 S9 2.424(3) 1_655 ?
Mn3 S4 2.433(3) . ?
Mn3 K7 3.909(3) 1_456 ?
Mn3 K8 4.061(3) 2_656 ?
Mn4 S5 2.360(2) . ?
Mn4 S8 2.402(2) 1_655 ?
Mn4 S14 2.442(2) . ?
Mn4 S20 2.452(3) 1_655 ?
Ge1 S3 2.125(3) . ?
Ge1 S26 2.141(3) . ?
Ge1 S28 2.262(2) . ?
Ge1 S12 2.273(2) . ?
Ge2 S15 2.187(3) . ?
Ge2 S6 2.212(2) . ?
Ge2 S30 2.240(2) 1_455 ?
Ge2 S28 2.251(2) 1_455 ?
Ge3 S24 2.192(2) . ?
Ge3 S12 2.211(2) 1_455 ?
Ge3 S29 2.248(2) . ?
Ge3 S10 2.261(3) . ?
Ge4 S20 2.194(2) . ?
Ge4 S19 2.242(3) . ?
Ge4 S30 2.248(2) 1_455 ?
Ge4 S6 2.269(2) . ?
Ge5 S5 2.158(2) . ?
Ge5 S8 2.189(2) . ?
Ge5 S19 2.246(2) . ?
Ge5 S27 2.288(2) . ?
Ge5 K6 3.967(3) 1_455 ?
Ge6 S18 2.123(3) . ?
Ge6 S29 2.240(2) . ?
Ge6 S22 2.247(3) . ?
Ge6 S10 2.248(3) . ?
Ge7 S25 2.159(3) . ?
Ge7 S21 2.214(3) . ?
Ge7 S23 2.216(3) . ?
Ge7 S31 2.282(3) . ?
Ge8 S14 2.187(3) . ?
Ge8 S27 2.217(2) 1_655 ?
Ge8 S17 2.264(2) . ?
Ge8 S32 2.282(2) . ?
Ge9 S11 2.184(2) 1_655 ?
Ge9 S16 2.214(2) . ?
Ge9 S13 2.251(3) . ?
Ge9 S1 2.264(2) . ?
Ge9 K3 3.985(3) 1_655 ?
Ge10 S7 2.105(3) . ?
Ge10 S32 2.244(2) . ?
Ge10 S1 2.248(3) 1_455 ?
Ge10 S17 2.267(3) . ?
Ge11 S9 2.131(3) . ?
Ge11 S4 2.191(3) . ?
Ge11 S23 2.279(2) 1_456 ?
Ge11 S22 2.288(2) 1_455 ?
Ge12 S2 2.154(2) . ?
Ge12 S13 2.227(3) 1_455 ?
Ge12 S21 2.265(2) . ?
Ge12 S31 2.267(3) . ?
S1 Ge10 2.248(3) 1_655 ?
S1 K3 3.568(4) 1_655 ?
S1 K3 3.711(4) 2_745 ?
S3 Mn2 2.417(3) 1_655 ?
S3 K2 3.222(3) 2_656 ?
S4 K7 3.282(3) 1_456 ?
S5 K6 3.405(3) 1_455 ?
S6 K8 3.762(3) 1_455 ?
S7 K3 3.541(4) 2_645 ?
S8 Mn4 2.402(2) 1_455 ?
S8 K5 3.198(3) 2_645 ?
S9 Mn3 2.424(3) 1_455 ?
S9 K4 3.267(3) 2_546 ?
S10 K4 3.321(4) 2_646 ?
S10 K2 3.779(4) 1_655 ?
S11 Ge9 2.184(2) 1_455 ?
S11 K6 3.125(3) 2_755 ?
S12 Ge3 2.211(2) 1_655 ?
S12 K2 3.405(3) 1_655 ?
S12 K1 3.579(3) 2_746 ?
S13 Ge12 2.227(3) 1_655 ?
S13 K3 3.252(3) 2_745 ?
S14 K7 3.236(3) 2_755 ?
S16 K3 3.182(3) 1_655 ?
S17 K3 3.390(4) 1_655 ?
S18 K8 3.163(3) 2_656 ?
S19 K7 3.375(3) 2_655 ?
S20 Mn4 2.452(3) 1_455 ?
S20 K4 3.132(3) 1_455 ?
S20 K8 3.653(3) 1_455 ?
S20 K7 3.672(3) 2_655 ?
S22 Ge11 2.288(2) 1_655 ?
S22 K2 3.314(3) 1_655 ?
S23 Ge11 2.279(2) 1_654 ?
S23 K8 3.492(3) 2_655 ?
S24 K1 3.327(3) 2_646 ?
S24 K2 3.689(3) 1_655 ?
S25 Mn3 2.411(3) 1_554 ?
S25 K5 3.136(3) 1_455 ?
S25 K7 3.504(3) 1_455 ?
S25 K8 3.798(3) 2_655 ?
S27 Ge8 2.217(2) 1_455 ?
S27 K6 3.451(3) 1_455 ?
S28 Ge2 2.251(2) 1_655 ?
S28 K1 3.193(3) 2_746 ?
S30 Ge2 2.240(2) 1_655 ?
S30 Ge4 2.248(2) 1_655 ?
S30 K2 3.416(3) 2_656 ?
S30 K4 3.528(3) 1_655 ?
S31 K6 3.380(3) 2_755 ?
S32 K5 3.349(3) 2_745 ?
S32 K6 3.380(3) 1_455 ?

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
S28 K1 S26 135.23(10) 2_756 . ?
S28 K1 S29 118.64(9) 2_756 . ?
S26 K1 S29 96.89(9) . . ?
S28 K1 S24 94.85(8) 2_756 2_656 ?
S26 K1 S24 75.09(8) . 2_656 ?
S29 K1 S24 65.31(7) . 2_656 ?
S28 K1 S12 61.81(6) 2_756 2_756 ?
S26 K1 S12 74.85(8) . 2_756 ?
S29 K1 S12 129.65(9) . 2_756 ?
S24 K1 S12 64.57(7) 2_656 2_756 ?
S28 K1 S12 124.02(9) 2_756 . ?
S26 K1 S12 61.72(7) . . ?
S29 K1 S12 106.51(8) . . ?
S24 K1 S12 135.07(8) 2_656 . ?
S12 K1 S12 111.81(7) 2_756 . ?
S28 K1 S22 84.06(7) 2_756 . ?
S26 K1 S22 140.17(9) . . ?
S29 K1 S22 58.78(7) . . ?
S24 K1 S22 114.19(9) 2_656 . ?
S12 K1 S22 144.91(8) 2_756 . ?
S12 K1 S22 93.32(7) . . ?
S28 K1 Ge1 125.09(9) 2_756 . ?
S26 K1 Ge1 32.34(5) . . ?
S29 K1 Ge1 116.26(7) . . ?
S24 K1 Ge1 106.75(7) 2_656 . ?
S12 K1 Ge1 82.85(6) 2_756 . ?
S12 K1 Ge1 34.15(4) . . ?
S22 K1 Ge1 126.97(7) . . ?
S28 K1 K2 112.97(7) 2_756 1_655 ?
S26 K1 K2 100.87(7) . 1_655 ?
S29 K1 K2 75.90(6) . 1_655 ?
S24 K1 K2 139.90(8) 2_656 1_655 ?
S12 K1 K2 154.16(9) 2_756 1_655 ?
S12 K1 K2 47.69(5) . 1_655 ?
S22 K1 K2 45.97(5) . 1_655 ?
Ge1 K1 K2 81.00(5) . 1_655 ?
S3 K2 S22 147.58(9) 2_646 1_455 ?
S3 K2 S4 124.67(10) 2_646 . ?
S22 K2 S4 64.54(8) 1_455 . ?
S3 K2 S12 83.69(8) 2_646 1_455 ?
S22 K2 S12 108.03(9) 1_455 1_455 ?
S4 K2 S12 140.05(9) . 1_455 ?
S3 K2 S30 64.20(7) 2_646 2_646 ?
S22 K2 S30 116.78(8) 1_455 2_646 ?
S4 K2 S30 60.55(7) . 2_646 ?
S12 K2 S30 134.00(9) 1_455 2_646 ?
S3 K2 S10 107.10(9) 2_646 . ?
S22 K2 S10 105.06(9) 1_455 . ?
S4 K2 S10 81.19(8) . . ?
S12 K2 S10 62.29(7) 1_455 . ?
S30 K2 S10 95.31(8) 2_646 . ?
S3 K2 S24 62.60(6) 2_646 1_455 ?
S22 K2 S24 95.64(7) 1_455 1_455 ?
S4 K2 S24 152.56(9) . 1_455 ?
S12 K2 S24 61.93(6) 1_455 1_455 ?
S30 K2 S24 120.51(8) 2_646 1_455 ?
S10 K2 S24 124.03(8) . 1_455 ?
S3 K2 S10 86.88(8) 2_646 1_455 ?
S22 K2 S10 60.74(7) 1_455 1_455 ?
S4 K2 S10 94.95(9) . 1_455 ?
S12 K2 S10 116.09(8) 1_455 1_455 ?
S30 K2 S10 95.14(8) 2_646 1_455 ?
S10 K2 S10 165.23(11) . 1_455 ?
S24 K2 S10 57.85(6) 1_455 1_455 ?
S3 K2 Ge11 133.37(8) 2_646 . ?
S22 K2 Ge11 35.80(5) 1_455 . ?
S4 K2 Ge11 34.10(6) . . ?
S12 K2 Ge11 141.36(8) 1_455 . ?
S30 K2 Ge11 81.21(6) 2_646 . ?
S10 K2 Ge11 106.31(7) . . ?
S24 K2 Ge11 119.60(7) 1_455 . ?
S10 K2 Ge11 65.14(6) 1_455 . ?
S3 K2 K1 123.87(7) 2_646 1_455 ?
S22 K2 K1 55.28(6) 1_455 1_455 ?
S4 K2 K1 111.21(8) . 1_455 ?
S12 K2 K1 53.20(6) 1_455 1_455 ?
S30 K2 K1 171.54(8) 2_646 1_455 ?
S10 K2 K1 84.80(7) . 1_455 ?
S24 K2 K1 65.60(6) 1_455 1_455 ?
S10 K2 K1 83.33(7) 1_455 1_455 ?
Ge11 K2 K1 90.63(6) . 1_455 ?
S3 K2 K4 66.84(7) 2_646 2_546 ?
S22 K2 K4 89.04(7) 1_455 2_546 ?
S4 K2 K4 75.75(7) . 2_546 ?
S12 K2 K4 144.06(7) 1_455 2_546 ?
S30 K2 K4 49.73(6) 2_646 2_546 ?
S10 K2 K4 144.47(8) . 2_546 ?
S24 K2 K4 85.64(6) 1_455 2_546 ?
S10 K2 K4 45.52(6) 1_455 2_546 ?
Ge11 K2 K4 67.00(5) . 2_546 ?
K1 K2 K4 128.67(7) 1_455 2_546 ?
S3 K2 K4 83.05(7) 2_646 2_646 ?
S22 K2 K4 124.24(7) 1_455 2_646 ?
S4 K2 K4 65.28(7) . 2_646 ?
S12 K2 K4 95.24(7) 1_455 2_646 ?
S30 K2 K4 51.15(6) 2_646 2_646 ?
S10 K2 K4 44.31(6) . 2_646 ?
S24 K2 K4 139.41(7) 1_455 2_646 ?
S10 K2 K4 145.77(8) 1_455 2_646 ?
Ge11 K2 K4 99.37(5) . 2_646 ?
K1 K2 K4 128.98(7) 1_455 2_646 ?
K4 K2 K4 100.83(6) 2_546 2_646 ?
S16 K3 S13 134.17(10) 1_455 2_755 ?
S16 K3 S17 96.24(9) 1_455 1_455 ?
S13 K3 S17 117.16(10) 2_755 1_455 ?
S16 K3 S7 73.81(8) 1_455 2_655 ?
S13 K3 S7 92.26(9) 2_755 2_655 ?
S17 K3 S7 64.64(7) 1_455 2_655 ?
S16 K3 S1 63.37(7) 1_455 1_455 ?
S13 K3 S1 124.00(9) 2_755 1_455 ?
S17 K3 S1 109.81(9) 1_455 1_455 ?
S7 K3 S1 136.16(9) 2_655 1_455 ?
S16 K3 S1 74.24(7) 1_455 2_755 ?
S13 K3 S1 60.96(7) 2_755 2_755 ?
S17 K3 S1 126.39(9) 1_455 2_755 ?
S7 K3 S1 62.03(7) 2_655 2_755 ?
S1 K3 S1 111.69(7) 1_455 2_755 ?
S16 K3 S27 142.66(9) 1_455 . ?
S13 K3 S27 83.07(8) 2_755 . ?
S17 K3 S27 60.06(7) 1_455 . ?
S7 K3 S27 113.75(9) 2_655 . ?
S1 K3 S27 95.96(8) 1_455 . ?
S1 K3 S27 142.68(9) 2_755 . ?
S16 K3 Ge9 33.67(5) 1_455 1_455 ?
S13 K3 Ge9 124.81(9) 2_755 1_455 ?
S17 K3 Ge9 117.80(8) 1_455 1_455 ?
S7 K3 Ge9 106.49(7) 2_655 1_455 ?
S1 K3 Ge9 34.32(5) 1_455 1_455 ?
S1 K3 Ge9 82.80(7) 2_755 1_455 ?
S27 K3 Ge9 129.74(8) . 1_455 ?
S16 K3 K6 102.12(8) 1_455 1_455 ?
S13 K3 K6 113.72(8) 2_755 1_455 ?
S17 K3 K6 79.18(7) 1_455 1_455 ?
S7 K3 K6 142.52(9) 2_655 1_455 ?
S1 K3 K6 47.81(6) 1_455 1_455 ?
S1 K3 K6 154.20(9) 2_755 1_455 ?
S27 K3 K6 48.55(5) . 1_455 ?
Ge9 K3 K6 81.19(6) 1_455 1_455 ?
S20 K4 S26 139.33(10) 1_655 . ?
S20 K4 S9 73.95(8) 1_655 2_556 ?
S26 K4 S9 129.12(10) . 2_556 ?
S20 K4 S10 126.51(10) 1_655 2_656 ?
S26 K4 S10 64.66(8) . 2_656 ?
S9 K4 S10 64.56(8) 2_556 2_656 ?
S20 K4 S15 102.32(9) 1_655 . ?
S26 K4 S15 73.14(8) . . ?
S9 K4 S15 150.08(10) 2_556 . ?
S10 K4 S15 130.42(9) 2_656 . ?
S20 K4 S30 108.95(9) 1_655 1_455 ?
S26 K4 S30 105.31(9) . 1_455 ?
S9 K4 S30 87.74(8) 2_556 1_455 ?
S10 K4 S30 101.80(9) 2_656 1_455 ?
S15 K4 S30 65.01(7) . 1_455 ?
S20 K4 S30 62.87(7) 1_655 . ?
S26 K4 S30 78.76(8) . . ?
S9 K4 S30 100.46(8) 2_556 . ?
S10 K4 S30 92.45(8) 2_656 . ?
S15 K4 S30 103.99(8) . . ?
S30 K4 S30 165.59(10) 1_455 . ?
S20 K4 Mn2 138.12(9) 1_655 . ?
S26 K4 Mn2 39.41(6) . . ?
S9 K4 Mn2 146.01(9) 2_556 . ?
S10 K4 Mn2 92.25(7) 2_656 . ?
S15 K4 Mn2 38.48(5) . . ?
S30 K4 Mn2 72.37(6) 1_455 . ?
S30 K4 Mn2 105.27(7) . . ?
S20 K4 K8 53.65(6) 1_655 . ?
S26 K4 K8 112.68(8) . . ?
S9 K4 K8 117.91(8) 2_556 . ?
S10 K4 K8 176.42(9) 2_656 . ?
S15 K4 K8 48.86(6) . . ?
S30 K4 K8 81.11(6) 1_455 . ?
S30 K4 K8 84.57(6) . . ?
Mn2 K4 K8 86.63(6) . . ?
S20 K4 K2 138.63(8) 1_655 2_556 ?
S26 K4 K2 81.46(7) . 2_556 ?
S9 K4 K2 71.90(7) 2_556 2_556 ?
S10 K4 K2 54.29(7) 2_656 2_556 ?
S15 K4 K2 95.90(8) . 2_556 ?
S30 K4 K2 47.63(5) 1_455 2_556 ?
S30 K4 K2 146.32(7) . 2_556 ?
Mn2 K4 K2 74.37(6) . 2_556 ?
K8 K4 K2 128.44(7) . 2_556 ?
S20 K4 K2 97.21(8) 1_655 2_656 ?
S26 K4 K2 60.51(7) . 2_656 ?
S9 K4 K2 82.63(7) 2_556 2_656 ?
S10 K4 K2 47.04(6) 2_656 2_656 ?
S15 K4 K2 127.05(7) . 2_656 ?
S30 K4 K2 148.38(8) 1_455 2_656 ?
S30 K4 K2 45.56(5) . 2_656 ?
Mn2 K4 K2 99.86(6) . 2_656 ?
K8 K4 K2 129.83(7) . 2_656 ?
K2 K4 K2 100.83(6) 2_556 2_656 ?
S25 K5 S8 76.79(7) 1_655 2_655 ?
S25 K5 S16 137.75(9) 1_655 . ?
S8 K5 S16 127.20(8) 2_655 . ?
S25 K5 S32 127.31(9) 1_655 2_755 ?
S8 K5 S32 63.52(6) 2_655 2_755 ?
S16 K5 S32 63.76(6) . 2_755 ?
S25 K5 S31 109.55(9) 1_655 . ?
S8 K5 S31 89.23(8) 2_655 . ?
S16 K5 S31 105.33(9) . . ?
S32 K5 S31 103.35(8) 2_755 . ?
S25 K5 S2 99.75(8) 1_655 . ?
S8 K5 S2 152.39(9) 2_655 . ?
S16 K5 S2 73.58(7) . . ?
S32 K5 S2 131.37(8) 2_755 . ?
S31 K5 S2 65.80(7) . . ?
S25 K5 Mn1 135.40(8) 1_655 . ?
S8 K5 Mn1 146.75(8) 2_655 . ?
S16 K5 Mn1 39.08(5) . . ?
S32 K5 Mn1 92.65(6) 2_755 . ?
S31 K5 Mn1 73.33(7) . . ?
S2 K5 Mn1 38.90(5) . . ?
S25 K5 K7 51.27(6) 1_655 . ?
S8 K5 K7 119.00(7) 2_655 . ?
S16 K5 K7 113.27(7) . . ?
S32 K5 K7 174.49(8) 2_755 . ?
S31 K5 K7 81.80(7) . . ?
S2 K5 K7 48.84(5) . . ?
Mn1 K5 K7 86.94(5) . . ?
S25 K5 K6 141.32(8) 1_655 2_755 ?
S8 K5 K6 73.02(6) 2_655 2_755 ?
S16 K5 K6 80.63(7) . 2_755 ?
S32 K5 K6 56.18(6) 2_755 2_755 ?
S31 K5 K6 47.35(6) . 2_755 ?
S2 K5 K6 96.03(7) . 2_755 ?
Mn1 K5 K6 74.39(5) . 2_755 ?
K7 K5 K6 128.77(7) . 2_755 ?
S25 K5 K6 97.68(8) 1_655 2_855 ?
S8 K5 K6 80.89(6) 2_655 2_855 ?
S16 K5 K6 60.00(6) . 2_855 ?
S32 K5 K6 45.21(5) 2_755 2_855 ?
S31 K5 K6 148.08(8) . 2_855 ?
S2 K5 K6 126.55(7) . 2_855 ?
Mn1 K5 K6 98.96(6) . 2_855 ?
K7 K5 K6 129.44(7) . 2_855 ?
K6 K5 K6 100.78(6) 2_755 2_855 ?
S11 K6 S1 86.62(8) 2_745 . ?
S11 K6 S31 64.07(7) 2_745 2_745 ?
S1 K6 S31 137.78(9) . 2_745 ?
S11 K6 S32 109.53(8) 2_745 1_655 ?
S1 K6 S32 62.66(7) . 1_655 ?
S31 K6 S32 97.73(8) 2_745 1_655 ?
S11 K6 S5 124.55(8) 2_745 1_655 ?
S1 K6 S5 139.88(9) . 1_655 ?
S31 K6 S5 60.61(6) 2_745 1_655 ?
S32 K6 S5 81.75(7) 1_655 1_655 ?
S11 K6 S27 145.52(10) 2_745 1_655 ?
S1 K6 S27 107.06(8) . 1_655 ?
S31 K6 S27 114.28(9) 2_745 1_655 ?
S32 K6 S27 104.84(8) 1_655 1_655 ?
S5 K6 S27 62.93(6) 1_655 1_655 ?
S11 K6 S7 65.41(7) 2_745 . ?
S1 K6 S7 61.68(7) . . ?
S31 K6 S7 122.27(9) 2_745 . ?
S32 K6 S7 124.30(9) 1_655 . ?
S5 K6 S7 149.71(9) 1_655 . ?
S27 K6 S7 92.90(8) 1_655 . ?
S11 K6 Ge5 131.67(8) 2_745 1_655 ?
S1 K6 Ge5 139.67(8) . 1_655 ?
S31 K6 Ge5 79.62(6) 2_745 1_655 ?
S32 K6 Ge5 105.85(7) 1_655 1_655 ?
S5 K6 Ge5 32.94(4) 1_655 1_655 ?
S27 K6 Ge5 35.06(4) 1_655 1_655 ?
S7 K6 Ge5 117.35(8) . 1_655 ?
S11 K6 K3 124.40(8) 2_745 1_655 ?
S1 K6 K3 51.96(6) . 1_655 ?
S31 K6 K3 169.82(8) 2_745 1_655 ?
S32 K6 K3 84.87(7) 1_655 1_655 ?
S5 K6 K3 110.32(7) 1_655 1_655 ?
S27 K6 K3 55.59(6) 1_655 1_655 ?
S7 K6 K3 62.69(6) . 1_655 ?
Ge5 K6 K3 90.20(5) 1_655 1_655 ?
S11 K6 K5 65.53(6) 2_745 2_745 ?
S1 K6 K5 145.20(8) . 2_745 ?
S31 K6 K5 47.52(6) 2_745 2_745 ?
S32 K6 K5 144.60(7) 1_655 2_745 ?
S5 K6 K5 74.92(6) 1_655 2_745 ?
S27 K6 K5 87.92(7) 1_655 2_745 ?
S7 K6 K5 86.92(7) . 2_745 ?
Ge5 K6 K5 66.49(5) 1_655 2_745 ?
K3 K6 K5 128.04(7) 1_655 2_745 ?
S11 K6 K5 84.24(7) 2_745 2_845 ?
S1 K6 K5 96.46(7) . 2_845 ?
S31 K6 K5 53.29(6) 2_745 2_845 ?
S32 K6 K5 44.69(5) 1_655 2_845 ?
S5 K6 K5 66.30(6) 1_655 2_845 ?
S27 K6 K5 123.90(7) 1_655 2_845 ?
S7 K6 K5 142.36(8) . 2_845 ?
Ge5 K6 K5 99.24(5) 1_655 2_845 ?
K3 K6 K5 129.42(7) 1_655 2_845 ?
K5 K6 K5 100.78(6) 2_745 2_845 ?
S14 K7 S4 140.57(10) 2_745 1_654 ?
S14 K7 S19 92.16(8) 2_745 2_645 ?
S4 K7 S19 74.20(8) 1_654 2_645 ?
S14 K7 S2 77.29(7) 2_745 . ?
S4 K7 S2 142.03(10) 1_654 . ?
S19 K7 S2 109.10(9) 2_645 . ?
S14 K7 S25 118.66(9) 2_745 1_655 ?
S4 K7 S25 72.15(8) 1_654 1_655 ?
S19 K7 S25 145.60(8) 2_645 1_655 ?
S2 K7 S25 93.35(7) . 1_655 ?
S14 K7 S21 122.29(9) 2_745 . ?
S4 K7 S21 86.02(9) 1_654 . ?
S19 K7 S21 65.60(7) 2_645 . ?
S2 K7 S21 63.46(7) . . ?
S25 K7 S21 104.83(8) 1_655 . ?
S14 K7 S20 69.02(7) 2_745 2_645 ?
S4 K7 S20 71.92(7) 1_654 2_645 ?
S19 K7 S20 62.36(6) 2_645 2_645 ?
S2 K7 S20 144.42(8) . 2_645 ?
S25 K7 S20 112.41(8) 1_655 2_645 ?
S21 K7 S20 127.14(8) . 2_645 ?
S14 K7 Mn3 128.97(9) 2_745 1_654 ?
S4 K7 Mn3 38.31(6) 1_654 1_654 ?
S19 K7 Mn3 111.55(7) 2_645 1_654 ?
S2 K7 Mn3 129.25(7) . 1_654 ?
S25 K7 Mn3 37.46(5) 1_655 1_654 ?
S21 K7 Mn3 108.70(7) . 1_654 ?
S20 K7 Mn3 82.71(6) 2_645 1_654 ?
S14 K7 K5 105.95(7) 2_745 . ?
S4 K7 K5 105.89(8) 1_654 . ?
S19 K7 K5 145.06(9) 2_645 . ?
S2 K7 K5 49.38(5) . . ?
S25 K7 K5 44.28(5) 1_655 . ?
S21 K7 K5 79.49(6) . . ?
S20 K7 K5 152.08(8) 2_645 . ?
Mn3 K7 K5 80.05(5) 1_654 . ?
S18 K8 S5 142.43(10) 2_646 . ?
S18 K8 S15 76.76(8) 2_646 . ?
S5 K8 S15 140.60(9) . . ?
S18 K8 S23 92.00(8) 2_646 2_645 ?
S5 K8 S23 73.38(7) . 2_645 ?
S15 K8 S23 109.94(9) . 2_645 ?
S18 K8 S6 118.77(9) 2_646 . ?
S5 K8 S6 86.61(7) . . ?
S15 K8 S6 62.46(7) . . ?
S23 K8 S6 64.80(7) 2_645 . ?
S18 K8 S20 121.40(8) 2_646 1_655 ?
S5 K8 S20 71.58(7) . 1_655 ?
S15 K8 S20 92.13(8) . 1_655 ?
S23 K8 S20 143.93(8) 2_645 1_655 ?
S6 K8 S20 104.57(8) . 1_655 ?
S18 K8 S6 62.85(7) 2_646 1_655 ?
S5 K8 S6 105.37(8) . 1_655 ?
S15 K8 S6 97.15(8) . 1_655 ?
S23 K8 S6 137.85(9) 2_645 1_655 ?
S6 K8 S6 156.30(10) . 1_655 ?
S20 K8 S6 61.88(6) 1_655 1_655 ?
S18 K8 S25 69.45(7) 2_646 2_645 ?
S5 K8 S25 73.19(7) . 2_645 ?
S15 K8 S25 144.41(9) . 2_645 ?
S23 K8 S25 61.64(7) 2_645 2_645 ?
S6 K8 S25 126.10(8) . 2_645 ?
S20 K8 S25 114.65(8) 1_655 2_645 ?
S6 K8 S25 77.42(7) 1_655 2_645 ?
S18 K8 Mn4 131.61(8) 2_646 . ?
S5 K8 Mn4 37.70(5) . . ?
S15 K8 Mn4 128.73(8) . . ?
S23 K8 Mn4 110.10(7) 2_645 . ?
S6 K8 Mn4 109.61(7) . . ?
S20 K8 Mn4 38.08(4) 1_655 . ?
S6 K8 Mn4 72.62(6) 1_655 . ?
S25 K8 Mn4 83.75(6) 2_645 . ?
S18 K8 Mn3 36.06(5) 2_646 2_646 ?
S5 K8 Mn3 107.97(7) . 2_646 ?
S15 K8 Mn3 108.91(7) . 2_646 ?
S23 K8 Mn3 66.15(6) 2_645 2_646 ?
S6 K8 Mn3 121.42(7) . 2_646 ?
S20 K8 Mn3 134.00(7) 1_655 2_646 ?
S6 K8 Mn3 74.92(6) 1_655 2_646 ?
S25 K8 Mn3 35.53(4) 2_645 2_646 ?
Mn4 K8 Mn3 115.82(6) . 2_646 ?
S18 K8 K4 106.10(8) 2_646 . ?
S5 K8 K4 105.37(7) . . ?
S15 K8 K4 48.62(6) . . ?
S23 K8 K4 144.63(8) 2_645 . ?
S6 K8 K4 79.83(6) . . ?
S20 K8 K4 43.67(5) 1_655 . ?
S6 K8 K4 77.30(6) 1_655 . ?
S25 K8 K4 153.21(8) 2_645 . ?
Mn4 K8 K4 80.39(5) . . ?
Mn3 K8 K4 141.04(6) 2_646 . ?
S7 Mn1 S16 114.48(9) . . ?
S7 Mn1 S11 107.15(10) . . ?
S16 Mn1 S11 96.10(8) . . ?
S7 Mn1 S2 116.55(10) . . ?
S16 Mn1 S2 110.73(9) . . ?
S11 Mn1 S2 109.72(9) . . ?
S7 Mn1 K5 166.58(9) . . ?
S16 Mn1 K5 57.64(6) . . ?
S11 Mn1 K5 85.21(7) . . ?
S2 Mn1 K5 61.96(7) . . ?
S3 Mn2 S15 110.68(10) 1_455 . ?
S3 Mn2 S24 106.40(10) 1_455 . ?
S15 Mn2 S24 113.57(10) . . ?
S3 Mn2 S26 98.62(10) 1_455 . ?
S15 Mn2 S26 108.63(10) . . ?
S24 Mn2 S26 117.80(9) . . ?
S3 Mn2 K4 87.60(8) 1_455 . ?
S15 Mn2 K4 61.06(8) . . ?
S24 Mn2 K4 165.91(8) . . ?
S26 Mn2 K4 56.88(7) . . ?
S18 Mn3 S25 112.71(9) . 1_556 ?
S18 Mn3 S9 114.58(10) . 1_655 ?
S25 Mn3 S9 103.50(9) 1_556 1_655 ?
S18 Mn3 S4 114.72(10) . . ?
S25 Mn3 S4 111.32(10) 1_556 . ?
S9 Mn3 S4 98.70(10) 1_655 . ?
S18 Mn3 K7 161.04(8) . 1_456 ?
S25 Mn3 K7 62.11(7) 1_556 1_456 ?
S9 Mn3 K7 84.22(8) 1_655 1_456 ?
S4 Mn3 K7 56.75(8) . 1_456 ?
S18 Mn3 K8 51.08(7) . 2_656 ?
S25 Mn3 K8 66.28(7) 1_556 2_656 ?
S9 Mn3 K8 106.59(8) 1_655 2_656 ?
S4 Mn3 K8 154.48(9) . 2_656 ?
K7 Mn3 K8 128.37(5) 1_456 2_656 ?
S5 Mn4 S8 99.56(7) . 1_655 ?
S5 Mn4 S14 114.00(9) . . ?
S8 Mn4 S14 114.40(10) 1_655 . ?
S5 Mn4 S20 114.60(10) . 1_655 ?
S8 Mn4 S20 107.35(9) 1_655 1_655 ?
S14 Mn4 S20 106.85(8) . 1_655 ?
S5 Mn4 K8 57.35(6) . . ?
S8 Mn4 K8 85.40(7) 1_655 . ?
S14 Mn4 K8 160.08(8) . . ?
S20 Mn4 K8 66.75(7) 1_655 . ?
S3 Ge1 S26 111.11(10) . . ?
S3 Ge1 S28 116.28(10) . . ?
S26 Ge1 S28 110.39(9) . . ?
S3 Ge1 S12 109.84(9) . . ?
S26 Ge1 S12 107.68(10) . . ?
S28 Ge1 S12 100.78(8) . . ?
S3 Ge1 K1 95.71(8) . . ?
S26 Ge1 K1 53.51(8) . . ?
S28 Ge1 K1 148.00(7) . . ?
S12 Ge1 K1 65.57(7) . . ?
S15 Ge2 S6 111.54(10) . . ?
S15 Ge2 S30 114.69(10) . 1_455 ?
S6 Ge2 S30 96.55(8) . 1_455 ?
S15 Ge2 S28 115.54(9) . 1_455 ?
S6 Ge2 S28 107.80(9) . 1_455 ?
S30 Ge2 S28 108.93(9) 1_455 1_455 ?
S24 Ge3 S12 114.11(9) . 1_455 ?
S24 Ge3 S29 118.08(9) . . ?
S12 Ge3 S29 113.17(9) 1_455 . ?
S24 Ge3 S10 108.44(10) . . ?
S12 Ge3 S10 105.54(10) 1_455 . ?
S29 Ge3 S10 94.73(9) . . ?
S20 Ge4 S19 111.07(9) . . ?
S20 Ge4 S30 108.84(9) . 1_455 ?
S19 Ge4 S30 107.97(9) . 1_455 ?
S20 Ge4 S6 117.41(9) . . ?
S19 Ge4 S6 115.05(9) . . ?
S30 Ge4 S6 94.72(8) 1_455 . ?
S5 Ge5 S8 110.19(8) . . ?
S5 Ge5 S19 113.35(8) . . ?
S8 Ge5 S19 112.52(9) . . ?
S5 Ge5 S27 107.19(9) . . ?
S8 Ge5 S27 113.10(8) . . ?
S19 Ge5 S27 100.07(9) . . ?
S5 Ge5 K6 59.08(6) . 1_455 ?
S8 Ge5 K6 97.00(7) . 1_455 ?
S19 Ge5 K6 149.66(8) . 1_455 ?
S27 Ge5 K6 60.05(7) . 1_455 ?
S18 Ge6 S29 114.17(10) . . ?
S18 Ge6 S22 117.49(10) . . ?
S29 Ge6 S22 103.02(10) . . ?
S18 Ge6 S10 117.02(11) . . ?
S29 Ge6 S10 95.32(9) . . ?
S22 Ge6 S10 106.81(10) . . ?
S25 Ge7 S21 113.44(9) . . ?
S25 Ge7 S23 117.72(9) . . ?
S21 Ge7 S23 111.36(9) . . ?
S25 Ge7 S31 110.86(10) . . ?
S21 Ge7 S31 96.24(9) . . ?
S23 Ge7 S31 104.71(9) . . ?
S14 Ge8 S27 117.79(9) . 1_655 ?
S14 Ge8 S17 110.63(9) . . ?
S27 Ge8 S17 107.56(9) 1_655 . ?
S14 Ge8 S32 113.27(9) . . ?
S27 Ge8 S32 109.67(8) 1_655 . ?
S17 Ge8 S32 95.53(8) . . ?
S11 Ge9 S16 109.80(9) 1_655 . ?
S11 Ge9 S13 115.78(10) 1_655 . ?
S16 Ge9 S13 110.73(9) . . ?
S11 Ge9 S1 110.72(9) 1_655 . ?
S16 Ge9 S1 105.34(9) . . ?
S13 Ge9 S1 103.84(10) . . ?
S11 Ge9 K3 96.41(8) 1_655 1_655 ?
S16 Ge9 K3 52.84(7) . 1_655 ?
S13 Ge9 K3 147.79(8) . 1_655 ?
S1 Ge9 K3 62.68(7) . 1_655 ?
S7 Ge10 S32 111.18(10) . . ?
S7 Ge10 S1 118.42(10) . 1_455 ?
S32 Ge10 S1 102.49(9) . 1_455 ?
S7 Ge10 S17 117.83(11) . . ?
S32 Ge10 S17 96.51(8) . . ?
S1 Ge10 S17 107.18(9) 1_455 . ?
S9 Ge11 S4 109.43(11) . . ?
S9 Ge11 S23 110.73(10) . 1_456 ?
S4 Ge11 S23 110.56(10) . 1_456 ?
S9 Ge11 S22 116.11(10) . 1_455 ?
S4 Ge11 S22 105.12(11) . 1_455 ?
S23 Ge11 S22 104.67(9) 1_456 1_455 ?
S9 Ge11 K2 99.05(8) . . ?
S4 Ge11 K2 58.94(8) . . ?
S23 Ge11 K2 150.13(8) 1_456 . ?
S22 Ge11 K2 57.90(7) 1_455 . ?
S2 Ge12 S13 115.23(9) . 1_455 ?
S2 Ge12 S21 110.95(9) . . ?
S13 Ge12 S21 109.65(9) 1_455 . ?
S2 Ge12 S31 113.79(9) . . ?
S13 Ge12 S31 110.22(10) 1_455 . ?
S21 Ge12 S31 95.21(9) . . ?
Ge10 S1 Ge9 101.65(10) 1_655 . ?
Ge10 S1 K6 97.45(9) 1_655 . ?
Ge9 S1 K6 156.88(11) . . ?
Ge10 S1 K3 102.48(9) 1_655 1_655 ?
Ge9 S1 K3 83.00(8) . 1_655 ?
K6 S1 K3 80.23(8) . 1_655 ?
Ge10 S1 K3 84.19(8) 1_655 2_745 ?
Ge9 S1 K3 86.20(8) . 2_745 ?
K6 S1 K3 108.74(8) . 2_745 ?
K3 S1 K3 168.26(7) 1_655 2_745 ?
Ge12 S2 Mn1 99.55(10) . . ?
Ge12 S2 K7 94.16(9) . . ?
Mn1 S2 K7 156.44(10) . . ?
Ge12 S2 K5 90.11(8) . . ?
Mn1 S2 K5 79.14(7) . . ?
K7 S2 K5 81.78(7) . . ?
Ge1 S3 Mn2 106.65(11) . 1_655 ?
Ge1 S3 K2 109.00(10) . 2_656 ?
Mn2 S3 K2 130.14(10) 1_655 2_656 ?
Ge11 S4 Mn3 103.48(12) . . ?
Ge11 S4 K7 103.51(11) . 1_456 ?
Mn3 S4 K7 84.94(9) . 1_456 ?
Ge11 S4 K2 86.96(10) . . ?
Mn3 S4 K2 103.88(11) . . ?
K7 S4 K2 164.54(12) 1_456 . ?
Ge5 S5 Mn4 104.67(8) . . ?
Ge5 S5 K8 104.77(8) . . ?
Mn4 S5 K8 84.95(7) . . ?
Ge5 S5 K6 87.98(7) . 1_455 ?
Mn4 S5 K6 102.95(8) . 1_455 ?
K8 S5 K6 162.98(8) . 1_455 ?
Ge2 S6 Ge4 84.43(8) . . ?
Ge2 S6 K8 89.11(8) . . ?
Ge4 S6 K8 103.78(9) . . ?
Ge2 S6 K8 112.59(9) . 1_455 ?
Ge4 S6 K8 88.34(8) . 1_455 ?
K8 S6 K8 156.30(10) . 1_455 ?
Ge10 S7 Mn1 101.23(11) . . ?
Ge10 S7 K3 90.63(10) . 2_645 ?
Mn1 S7 K3 91.58(9) . 2_645 ?
Ge10 S7 K6 95.02(9) . . ?
Mn1 S7 K6 135.79(11) . . ?
K3 S7 K6 129.33(9) 2_645 . ?
Ge5 S8 Mn4 105.46(9) . 1_455 ?
Ge5 S8 K5 120.96(9) . 2_645 ?
Mn4 S8 K5 119.77(8) 1_455 2_645 ?
Ge11 S9 Mn3 104.73(11) . 1_455 ?
Ge11 S9 K4 120.51(11) . 2_546 ?
Mn3 S9 K4 116.62(10) 1_455 2_546 ?
Ge6 S10 Ge3 84.73(10) . . ?
Ge6 S10 K4 132.78(11) . 2_646 ?
Ge3 S10 K4 139.61(12) . 2_646 ?
Ge6 S10 K2 106.77(11) . . ?
Ge3 S10 K2 94.08(9) . . ?
K4 S10 K2 88.65(9) 2_646 . ?
Ge6 S10 K2 87.96(9) . 1_655 ?
Ge3 S10 K2 88.31(9) . 1_655 ?
K4 S10 K2 80.19(8) 2_646 1_655 ?
K2 S10 K2 165.23(11) . 1_655 ?
Ge9 S11 Mn1 104.10(9) 1_455 . ?
Ge9 S11 K6 109.52(9) 1_455 2_755 ?
Mn1 S11 K6 133.82(10) . 2_755 ?
Ge3 S12 Ge1 101.23(10) 1_655 . ?
Ge3 S12 K2 97.07(8) 1_655 1_655 ?
Ge1 S12 K2 154.45(10) . 1_655 ?
Ge3 S12 K1 85.45(8) 1_655 2_746 ?
Ge1 S12 K1 87.97(8) . 2_746 ?
K2 S12 K1 111.26(8) 1_655 2_746 ?
Ge3 S12 K1 99.96(8) 1_655 . ?
Ge1 S12 K1 80.29(8) . . ?
K2 S12 K1 79.11(7) 1_655 . ?
K1 S12 K1 167.81(7) 2_746 . ?
Ge12 S13 Ge9 100.72(11) 1_655 . ?
Ge12 S13 K3 103.59(10) 1_655 2_745 ?
Ge9 S13 K3 98.42(9) . 2_745 ?
Ge8 S14 Mn4 95.39(9) . . ?
Ge8 S14 K7 101.87(9) . 2_755 ?
Mn4 S14 K7 92.90(8) . 2_755 ?
Ge2 S15 Mn2 99.38(11) . . ?
Ge2 S15 K4 91.63(9) . . ?
Mn2 S15 K4 80.46(9) . . ?
Ge2 S15 K8 94.20(9) . . ?
Mn2 S15 K8 158.46(11) . . ?
K4 S15 K8 82.51(8) . . ?
Ge9 S16 Mn1 101.95(9) . . ?
Ge9 S16 K3 93.50(8) . 1_655 ?
Mn1 S16 K3 98.01(9) . 1_655 ?
Ge9 S16 K5 107.05(9) . . ?
Mn1 S16 K5 83.28(8) . . ?
K3 S16 K5 158.74(9) 1_655 . ?
Ge8 S17 Ge10 83.62(9) . . ?
Ge8 S17 K3 101.20(9) . 1_655 ?
Ge10 S17 K3 102.30(9) . 1_655 ?
Ge6 S18 Mn3 96.67(10) . . ?
Ge6 S18 K8 106.36(10) . 2_656 ?
Mn3 S18 K8 92.86(9) . 2_656 ?
Ge4 S19 Ge5 100.62(9) . . ?
Ge4 S19 K7 94.20(9) . 2_655 ?
Ge5 S19 K7 105.96(8) . 2_655 ?
Ge4 S20 Mn4 99.26(10) . 1_455 ?
Ge4 S20 K4 100.35(9) . 1_455 ?
Mn4 S20 K4 150.85(11) 1_455 1_455 ?
Ge4 S20 K8 92.32(8) . 1_455 ?
Mn4 S20 K8 75.17(7) 1_455 1_455 ?
K4 S20 K8 82.68(8) 1_455 1_455 ?
Ge4 S20 K7 87.26(8) . 2_655 ?
Mn4 S20 K7 82.76(7) 1_455 2_655 ?
K4 S20 K7 119.47(9) 1_455 2_655 ?
K8 S20 K7 157.57(8) 1_455 2_655 ?
Ge7 S21 Ge12 85.04(9) . . ?
Ge7 S21 K7 106.15(9) . . ?
Ge12 S21 K7 89.08(8) . . ?
Ge6 S22 Ge11 100.54(10) . 1_655 ?
Ge6 S22 K2 100.42(9) . 1_655 ?
Ge11 S22 K2 86.30(8) 1_655 1_655 ?
Ge6 S22 K1 92.33(8) . . ?
Ge11 S22 K1 161.83(10) 1_655 . ?
K2 S22 K1 78.75(7) 1_655 . ?
Ge7 S23 Ge11 100.59(10) . 1_654 ?
Ge7 S23 K8 91.06(8) . 2_655 ?
Ge11 S23 K8 101.49(8) 1_654 2_655 ?
Ge3 S24 Mn2 98.26(9) . . ?
Ge3 S24 K1 92.23(8) . 2_646 ?
Mn2 S24 K1 94.66(8) . 2_646 ?
Ge3 S24 K2 91.69(8) . 1_655 ?
Mn2 S24 K2 130.78(9) . 1_655 ?
K1 S24 K2 133.16(8) 2_646 1_655 ?
Ge7 S25 Mn3 100.26(10) . 1_554 ?
Ge7 S25 K5 102.80(9) . 1_455 ?
Mn3 S25 K5 153.95(11) 1_554 1_455 ?
Ge7 S25 K7 98.16(9) . 1_455 ?
Mn3 S25 K7 80.43(8) 1_554 1_455 ?
K5 S25 K7 84.46(8) 1_455 1_455 ?
Ge7 S25 K8 84.06(8) . 2_655 ?
Mn3 S25 K8 78.19(7) 1_554 2_655 ?
K5 S25 K8 116.01(9) 1_455 2_655 ?
K7 S25 K8 158.55(8) 1_455 2_655 ?
Ge1 S26 Mn2 102.99(11) . . ?
Ge1 S26 K1 94.15(9) . . ?
Mn2 S26 K1 97.73(10) . . ?
Ge1 S26 K4 108.50(11) . . ?
Mn2 S26 K4 83.71(9) . . ?
K1 S26 K4 156.45(11) . . ?
Ge8 S27 Ge5 102.54(10) 1_455 . ?
Ge8 S27 K6 99.08(8) 1_455 1_455 ?
Ge5 S27 K6 84.89(8) . 1_455 ?
Ge8 S27 K3 90.87(8) 1_455 . ?
Ge5 S27 K3 158.10(10) . . ?
K6 S27 K3 75.85(7) 1_455 . ?
Ge2 S28 Ge1 100.33(9) 1_655 . ?
Ge2 S28 K1 103.86(9) 1_655 2_746 ?
Ge1 S28 K1 98.31(8) . 2_746 ?
Ge6 S29 Ge3 85.21(9) . . ?
Ge6 S29 K1 105.85(9) . . ?
Ge3 S29 K1 108.22(9) . . ?
Ge2 S30 Ge4 84.29(8) 1_655 1_655 ?
Ge2 S30 K2 130.75(9) 1_655 2_656 ?
Ge4 S30 K2 144.70(9) 1_655 2_656 ?
Ge2 S30 K4 87.58(8) 1_655 1_655 ?
Ge4 S30 K4 106.30(9) 1_655 1_655 ?
K2 S30 K4 82.64(7) 2_656 1_655 ?
Ge2 S30 K4 104.03(8) 1_655 . ?
Ge4 S30 K4 83.65(8) 1_655 . ?
K2 S30 K4 83.30(7) 2_656 . ?
K4 S30 K4 165.59(10) 1_655 . ?
Ge12 S31 Ge7 83.42(9) . . ?
Ge12 S31 K6 130.69(10) . 2_755 ?
Ge7 S31 K6 144.51(11) . 2_755 ?
Ge12 S31 K5 89.22(9) . . ?
Ge7 S31 K5 107.84(10) . . ?
K6 S31 K5 85.13(8) 2_755 . ?
Ge10 S32 Ge8 83.74(7) . . ?
Ge10 S32 K5 138.76(9) . 2_745 ?
Ge8 S32 K5 131.76(8) . 2_745 ?
Ge10 S32 K6 96.89(8) . 1_455 ?
Ge8 S32 K6 109.42(8) . 1_455 ?
K5 S32 K6 90.10(7) 2_745 1_455 ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.236
