# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

data_Sc2.07W2.93Si4
  
_audit_creation_method            SHELXL-2013
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
primary 'Dalton Transactions' 2015 ? ? ?
loop_
_publ_author_name
'Nielsen, Morten B.'
'Xie, Weiwei'
'Cava, Robert J.' 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Sc2.07 Si4 W2.93' 
_chemical_formula_weight          744.80 
  
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' 
 'Sc'  'Sc'   0.2519   0.3716 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'W'  'W'  -0.8490   6.8722 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       orthorhombic 
_space_group_IT_number            62 
_space_group_name_H-M_alt         'P n m a' 
_space_group_name_Hall            '-P 2ac 2n' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
   1 x,y,z
   2 1/2-x,-y,1/2+z
   3 1/2+x,1/2-y,1/2-z
   4 -x,1/2+y,-z
   5 -x,-y,-z
   6 1/2+x,y,1/2-z
   7 1/2-x,1/2+y,1/2+z
   8 x,1/2-y,z
  
_cell_length_a                    6.5357(4) 
_cell_length_b                    12.6408(8) 
_cell_length_c                    6.7743(4) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      559.67(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     300(2) 
_cell_measurement_reflns_used     1963 
_cell_measurement_theta_min       3.22 
_cell_measurement_theta_max       30.53 
  
_exptl_crystal_description        Irregular 
_exptl_crystal_colour             Metallic 
_exptl_crystal_density_meas       None 
_exptl_crystal_density_method     'Not measured' 
_exptl_crystal_density_diffrn     8.839 
_exptl_crystal_F_000              1266 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.020 
_exptl_crystal_size_mid           0.015 
_exptl_crystal_size_min           0.010 
_exptl_absorpt_coefficient_mu     63.182 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.4503 
_exptl_absorpt_correction_T_max   0.7461 
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       300(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'Bruker APEX-II CCD' 
_diffrn_measurement_method        'φ and ω scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             3743 
_diffrn_reflns_av_unetI/netI      0.0231 
_diffrn_reflns_av_R_equivalents   0.0264 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        7 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -8 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          3.223 
_diffrn_reflns_theta_max          30.538 
_diffrn_reflns_theta_full         25.242 
_diffrn_measured_fraction_theta_max   0.999 
_diffrn_measured_fraction_theta_full  1.000 
_diffrn_reflns_Laue_measured_fraction_max    0.999 
_diffrn_reflns_Laue_measured_fraction_full   1.000 
_diffrn_reflns_point_group_measured_fraction_max   0.999 
_diffrn_reflns_point_group_measured_fraction_full  1.000 
_reflns_number_total              897 
_reflns_number_gt                 790 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'Bruker APEX2' 
_computing_cell_refinement        'Bruker SAINT' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick 2008)' 
_computing_structure_refinement   'SHELXL-2013 (Sheldrick, 2013)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 ? 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0154P)²+0.1663P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    . 
_refine_ls_hydrogen_treatment     undef 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00195(8) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          897 
_refine_ls_number_parameters      48 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0232 
_refine_ls_R_factor_gt            0.0187 
_refine_ls_wR_factor_ref          0.0380 
_refine_ls_wR_factor_gt           0.0371 
_refine_ls_goodness_of_fit_ref    1.138 
_refine_ls_restrained_S_all       1.138 
_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_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Sc3 Sc -0.00450(17) 0.59149(7) 0.17065(12) 0.00215(14) Uani 1 1 d . . . . . 
W1 W 0.32973(3) 0.12423(2) 0.16485(3) 0.00046(8) Uani 0.9671(19) 1 d . . P . . 
Sc1 Sc 0.32973(3) 0.12423(2) 0.16485(3) 0.00046(8) Uani 0.0329(19) 1 d . . P . . 
W2 W 0.16335(4) 0.2500 0.50255(4) 0.00041(9) Uani 1 2 d S T P . . 
Si4 Si 0.1677(2) 0.04373(12) 0.4623(2) 0.0016(3) Uani 1 1 d . . . . . 
Si5 Si 0.0320(3) 0.2500 0.1185(3) 0.0015(4) Uani 1 2 d S T P . . 
Si6 Si 0.2990(3) 0.2500 0.8570(3) 0.0016(4) Uani 1 2 d S T P . . 
  
  
_geom_special_details
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;
 
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
 W1      Si4      2.4934(14)                     .       .                   yes
 W1      Si5      2.5323(16)                     .       .                   yes
 W1      Si6      2.6300(16)                     .     1_554                 yes
 W1      Si4      2.5280(15)                     .     2_554                 yes
 W1      Si5      2.5356(16)                     .     3_555                 yes
 W1      Si4      2.5800(14)                     .     6_555                 yes
 W2      Si4      2.6218(15)                     .       .                   yes
 W2      Si5        2.740(2)                     .       .                   yes
 W2      Si6        2.560(2)                     .       .                   yes
 W2      Si6        2.564(2)                     .     3_456                 yes
 W2      Si5        2.545(2)                     .     3_555                 yes
 W2      Si4      2.6218(15)                     .     8_555                 yes
 Sc1     Si4      2.4934(14)                     .       .                   yes
 Sc1     Si5      2.5323(16)                     .       .                   yes
 Sc1     Si6      2.6300(16)                     .     1_554                 yes
 Sc1     Si4      2.5280(15)                     .     2_554                 yes
 Sc1     Si5      2.5356(16)                     .     3_555                 yes
 Sc1     Si4      2.5800(14)                     .     6_555                 yes
 Sc3     Si4      2.8446(17)                     .     8_555                 yes
 Sc3     Si6      2.7226(16)                     .     2_564                 yes
 Sc3     Si4      2.8849(17)                     .     3_455                 yes
 Sc3     Si5      2.8078(17)                     .     4_555                 yes
 Sc3     Si4      2.7722(16)                     .     4_556                 yes
 Sc3     Si6      2.7847(17)                     .     4_556                 yes
 Sc3     Si4      2.6837(17)                     .     7_554                 yes
 Si4     Si4      2.5077(19)                     .     5_556                 yes
 Si5     Si6        2.487(3)                     .     1_554                 yes
 
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
 Si4     W1      Si5        91.72(5)             .       .       .           yes
 Si4     W1      Si6       148.77(5)             .       .     1_554         yes
 Si4     W1      Si4        95.67(5)             .       .     2_554         yes
 Si4     W1      Si5        90.55(5)             .       .     3_555         yes
 Si4     W1      Si4       118.19(5)             .       .     6_555         yes
 Si5     W1      Si6        57.55(6)             .       .     1_554         yes
 Si4     W1      Si5       117.72(5)           2_554     .       .           yes
 Si5     W1      Si5        94.52(5)             .       .     3_555         yes
 Si4     W1      Si5       149.78(5)           6_555     .       .           yes
 Si4     W1      Si6        94.46(4)           2_554     .     1_554         yes
 Si5     W1      Si6        96.88(5)           3_555     .     1_554         yes
 Si4     W1      Si6        92.24(5)           6_555     .     1_554         yes
 Si4     W1      Si5       146.86(5)           2_554     .     3_555         yes
 Si4     W1      Si4        58.79(4)           2_554     .     6_555         yes
 Si4     W1      Si5        89.67(5)           6_555     .     3_555         yes
 Si4     W2      Si5        84.53(3)             .       .       .           yes
 Si4     W2      Si6        95.38(3)             .       .       .           yes
 Si4     W2      Si6        92.79(3)             .       .     3_456         yes
 Si4     W2      Si5        87.49(3)             .       .     3_555         yes
 Si4     W2      Si4       168.00(4)             .       .     8_555         yes
 Si5     W2      Si6       178.00(6)             .       .       .           yes
 Si5     W2      Si6        93.52(6)             .       .     3_456         yes
 Si5     W2      Si5        89.47(6)             .       .     3_555         yes
 Si4     W2      Si5        84.53(3)           8_555     .       .           yes
 Si6     W2      Si6        88.49(6)             .       .     3_456         yes
 Si5     W2      Si6        88.53(6)           3_555     .       .           yes
 Si4     W2      Si6        95.38(3)           8_555     .       .           yes
 Si5     W2      Si6       177.02(7)           3_555     .     3_456         yes
 Si4     W2      Si6        92.79(3)           8_555     .     3_456         yes
 Si4     W2      Si5        87.49(3)           8_555     .     3_555         yes
 Si5     Sc1     Si6        96.88(5)           3_555     .     1_554         yes
 Si4     Sc1     Si6        92.24(5)           6_555     .     1_554         yes
 Si4     Sc1     Si5       146.86(5)           2_554     .     3_555         yes
 Si4     Sc1     Si4        58.79(4)           2_554     .     6_555         yes
 Si4     Sc1     Si5        89.67(5)           6_555     .     3_555         yes
 Si4     Sc1     Si5       117.72(5)           2_554     .       .           yes
 Si4     Sc1     Si5        91.72(5)             .       .       .           yes
 Si4     Sc1     Si6       148.77(5)             .       .     1_554         yes
 Si4     Sc1     Si4        95.67(5)             .       .     2_554         yes
 Si4     Sc1     Si5        90.55(5)             .       .     3_555         yes
 Si4     Sc1     Si4       118.19(5)             .       .     6_555         yes
 Si5     Sc1     Si6        57.55(6)             .       .     1_554         yes
 Si4     Sc1     Si6        94.46(4)           2_554     .     1_554         yes
 Si5     Sc1     Si5        94.52(5)             .       .     3_555         yes
 Si4     Sc1     Si5       149.78(5)           6_555     .       .           yes
 Si4     Sc3     Si6        85.70(5)           8_555     .     2_564         yes
 Si4     Sc3     Si4       137.59(6)           4_556     .     7_554         yes
 Si4     Sc3     Si4        53.01(4)           4_556     .     8_555         yes
 Si4     Sc3     Si6       133.90(6)           7_554     .     4_556         yes
 Si4     Sc3     Si6       138.81(6)           8_555     .     4_556         yes
 Si4     Sc3     Si4        84.58(5)           7_554     .     8_555         yes
 Si4     Sc3     Si5        99.06(5)           3_455     .     4_555         yes
 Si4     Sc3     Si4        82.26(5)           3_455     .     4_556         yes
 Si4     Sc3     Si6        83.80(5)           3_455     .     4_556         yes
 Si4     Sc3     Si4       108.16(5)           3_455     .     7_554         yes
 Si4     Sc3     Si4        98.90(5)           3_455     .     8_555         yes
 Si4     Sc3     Si5       139.16(6)           4_556     .     4_555         yes
 Si5     Sc3     Si6        52.80(6)           4_555     .     4_556         yes
 Si4     Sc3     Si5        81.15(5)           7_554     .     4_555         yes
 Si4     Sc3     Si5       159.83(6)           8_555     .     4_555         yes
 Si4     Sc3     Si6        87.20(6)           4_556     .     4_556         yes
 Si4     Sc3     Si6       161.29(6)           3_455     .     2_564         yes
 Si5     Sc3     Si6        80.20(5)           4_555     .     2_564         yes
 Si4     Sc3     Si6        86.23(6)           4_556     .     2_564         yes
 Si6     Sc3     Si6        80.95(5)           2_564     .     4_556         yes
 Si4     Sc3     Si6        90.28(6)           7_554     .     2_564         yes
 W1      Si4     W2         71.51(4)             .       .       .           yes
 W1      Si4     W1        141.13(6)             .       .     2_555         yes
 W1      Si4     Sc3        70.98(4)             .       .     3_555         yes
 W1      Si4     Sc3       143.07(7)             .       .     4_546         yes
 W1      Si4     Si4       135.71(6)             .       .     5_556         yes
 W1      Si4     W1         86.15(4)             .       .     6_455         yes
 W1      Si4     Sc3        89.13(5)             .       .     7_545         yes
 W1      Si4     Sc3        81.49(4)             .       .     8_555         yes
 W2      Si4     Sc1        71.51(4)             .       .       .           yes
 W1      Si4     W2        141.16(6)           2_555     .       .           yes
 W2      Si4     Sc3       129.03(5)             .       .     3_555         yes
 W2      Si4     Sc3        71.70(4)             .       .     4_546         yes
 W2      Si4     Si4       114.07(6)             .       .     5_556         yes
 W1      Si4     W2         68.48(4)           6_455     .       .           yes
 W2      Si4     Sc3        74.36(4)             .       .     7_545         yes
 W2      Si4     Sc3       131.72(6)             .       .     8_555         yes
 Sc1     Si4     Sc3        70.98(4)             .       .     3_555         yes
 Sc1     Si4     Sc3       143.07(7)             .       .     4_546         yes
 Sc1     Si4     Si4       135.71(6)             .       .     5_556         yes
 Sc1     Si4     Sc3        89.13(5)             .       .     7_545         yes
 Sc1     Si4     Sc3        81.49(4)             .       .     8_555         yes
 W1      Si4     Sc3        70.54(4)           2_555     .     3_555         yes
 W1      Si4     Sc3        72.46(4)           2_555     .     4_546         yes
 W1      Si4     Si4        61.64(5)           2_555     .     5_556         yes
 W1      Si4     W1        121.21(5)           2_555     .     6_455         yes
 W1      Si4     Sc3        84.15(4)           2_555     .     7_545         yes
 W1      Si4     Sc3        82.82(5)           2_555     .     8_555         yes
 Sc3     Si4     Sc3       134.01(6)           3_555     .     4_546         yes
 Sc3     Si4     Si4       116.84(7)           3_555     .     5_556         yes
 W1      Si4     Sc3       139.93(6)           6_455     .     3_555         yes
 Sc3     Si4     Sc3        71.84(4)           3_555     .     7_545         yes
 Sc3     Si4     Sc3        73.80(5)           3_555     .     8_555         yes
 Sc3     Si4     Si4        64.97(5)           4_546     .     5_556         yes
 W1      Si4     Sc3        83.35(4)           6_455     .     4_546         yes
 Sc3     Si4     Sc3        78.16(5)           4_546     .     7_545         yes
 Sc3     Si4     Sc3       126.99(6)           4_546     .     8_555         yes
 W1      Si4     Si4        59.57(4)           6_455     .     5_556         yes
 Sc3     Si4     Si4       135.16(7)           7_545     .     5_556         yes
 Sc3     Si4     Si4        62.01(5)           8_555     .     5_556         yes
 W1      Si4     Sc3       142.10(7)           6_455     .     7_545         yes
 W1      Si4     Sc3        70.51(4)           6_455     .     8_555         yes
 Sc3     Si4     Sc3       145.59(6)           7_545     .     8_555         yes
 W1      Si5     W2         68.99(5)             .       .       .           yes
 W1      Si5     Si6        63.20(5)             .       .     1_554         yes
 W1      Si5     W1        136.26(9)             .       .     3_455         yes
 W1      Si5     W2        140.12(3)             .       .     3_455         yes
 W1      Si5     Sc3        71.80(4)             .       .     4_545         yes
 W1      Si5     Sc3       125.71(8)             .       .     5_565         yes
 W1      Si5     W1         86.29(3)             .       .     6_455         yes
 W1      Si5     W1         77.78(6)             .       .     8_555         yes
 W2      Si5     Sc1        68.99(5)             .       .       .           yes
 W2      Si5     Si6       117.17(9)             .       .     1_554         yes
 W1      Si5     W2         67.28(5)           3_455     .       .           yes
 W2      Si5     W2        127.06(8)             .       .     3_455         yes
 W2      Si5     Sc3       133.04(4)             .       .     4_545         yes
 W2      Si5     Sc3       133.04(4)             .       .     5_565         yes
 W1      Si5     W2         67.28(5)           6_455     .       .           yes
 W1      Si5     W2         68.99(5)           8_555     .       .           yes
 Sc1     Si5     Si6        63.20(5)             .       .     1_554         yes
 W2      Si5     Sc1       140.12(3)           3_455     .       .           yes
 Sc1     Si5     Sc3        71.80(4)             .       .     4_545         yes
 Sc1     Si5     Sc3       125.71(8)             .       .     5_565         yes
 W1      Si5     Si6       141.10(3)           3_455     .     1_554         yes
 W2      Si5     Si6       115.77(9)           3_455     .     1_554         yes
 Sc3     Si5     Si6        63.12(5)           4_545     .     1_554         yes
 Sc3     Si5     Si6        63.12(5)           5_565     .     1_554         yes
 W1      Si5     Si6       141.10(3)           6_455     .     1_554         yes
 W1      Si5     Si6        63.20(5)           8_555     .     1_554         yes
 W1      Si5     W2         72.12(5)           3_455     .     3_455         yes
 W1      Si5     Sc3       144.87(8)           3_455     .     4_545         yes
 W1      Si5     Sc3        85.58(3)           3_455     .     5_565         yes
 W1      Si5     W1         77.66(6)           3_455     .     6_455         yes
 W1      Si5     W1         86.29(3)           3_455     .     8_555         yes
 W2      Si5     Sc3        73.42(5)           3_455     .     4_545         yes
 W2      Si5     Sc3        73.42(5)           3_455     .     5_565         yes
 W1      Si5     W2         72.12(5)           6_455     .     3_455         yes
 W1      Si5     W2        140.12(3)           8_555     .     3_455         yes
 Sc3     Si5     Sc3        91.06(6)           4_545     .     5_565         yes
 W1      Si5     Sc3        85.58(3)           6_455     .     4_545         yes
 W1      Si5     Sc3       125.71(8)           8_555     .     4_545         yes
 W1      Si5     Sc3       144.87(8)           6_455     .     5_565         yes
 W1      Si5     Sc3        71.80(4)           8_555     .     5_565         yes
 W1      Si5     W1        136.26(9)           6_455     .     8_555         yes
 W1      Si6     W2        140.38(4)           1_556     .       .           yes
 W2      Si6     Si5       115.17(9)             .       .     1_556         yes
 W2      Si6     Sc3        74.69(5)             .       .     2_565         yes
 W2      Si6     W2        132.05(8)             .       .     3_556         yes
 W2      Si6     Sc3        72.39(5)             .       .     4_546         yes
 W2      Si6     Sc3        72.39(5)             .       .     5_566         yes
 W2      Si6     Sc3        74.69(5)             .       .     7_545         yes
 W1      Si6     W2        140.38(4)           8_556     .       .           yes
 W1      Si6     Si5        59.25(5)           1_556     .     1_556         yes
 W1      Si6     Sc3       140.79(8)           1_556     .     2_565         yes
 W1      Si6     W2         68.59(5)           1_556     .     3_556         yes
 W1      Si6     Sc3        70.80(3)           1_556     .     4_546         yes
 W1      Si6     Sc3       122.76(8)           1_556     .     5_566         yes
 W1      Si6     Sc3        83.40(3)           1_556     .     7_545         yes
 W1      Si6     W1         74.39(5)           1_556     .     8_556         yes
 Sc3     Si6     Si5       132.57(4)           2_565     .     1_556         yes
 W2      Si6     Si5       112.79(9)           3_556     .     1_556         yes
 Sc3     Si6     Si5        64.08(5)           4_546     .     1_556         yes
 Sc3     Si6     Si5        64.08(5)           5_566     .     1_556         yes
 Sc3     Si6     Si5       132.57(4)           7_545     .     1_556         yes
 W1      Si6     Si5        59.25(5)           8_556     .     1_556         yes
 W2      Si6     Sc3        73.38(5)           3_556     .     2_565         yes
 Sc3     Si6     Sc3       147.07(8)           2_565     .     4_546         yes
 Sc3     Si6     Sc3        77.31(4)           2_565     .     5_566         yes
 Sc3     Si6     Sc3        94.78(7)           2_565     .     7_545         yes
 W1      Si6     Sc3        83.40(3)           8_556     .     2_565         yes
 W2      Si6     Sc3       131.82(4)           3_556     .     4_546         yes
 W2      Si6     Sc3       131.82(4)           3_556     .     5_566         yes
 W2      Si6     Sc3        73.38(5)           3_556     .     7_545         yes
 W1      Si6     W2         68.59(5)           8_556     .     3_556         yes
 Sc3     Si6     Sc3        92.03(7)           4_546     .     5_566         yes
 Sc3     Si6     Sc3        77.31(4)           4_546     .     7_545         yes
 W1      Si6     Sc3       122.76(8)           8_556     .     4_546         yes
 Sc3     Si6     Sc3       147.07(8)           5_566     .     7_545         yes
 W1      Si6     Sc3        70.80(3)           8_556     .     5_566         yes
 W1      Si6     Sc3       140.79(8)           8_556     .     7_545         yes
  
_refine_diff_density_max    1.680 
_refine_diff_density_min   -1.870 
_refine_diff_density_rms    0.374 
  
_shelxl_version_number 2013-4 
  
  
  
