#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:40:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179150 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/11/4311128.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_4311128
loop_
_publ_author_name
'Ratnasabapathy G. Iyer'
'Mercouri G. Kanatzidis'
_publ_section_title
;
 [Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High
 Negative Charge from Alkali Metal Polythioarsenate Fluxes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3656
_journal_page_last               3662
_journal_paper_doi               10.1021/ic049905u
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'As2 Mn Rb4 S8'
_chemical_formula_weight         803.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.958(7)
_cell_angle_beta                 103.950(5)
_cell_angle_gamma                92.612(6)
_cell_formula_units_Z            2
_cell_length_a                   9.079(3)
_cell_length_b                   9.197(3)
_cell_length_c                   11.219(4)
_cell_measurement_temperature    293(2)
_cell_volume                     867.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.914
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8668
_diffrn_reflns_theta_full        28.24
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    16.620
_exptl_crystal_density_diffrn    3.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             734
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         3921
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0310P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                3327
_reflns_number_total             3921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049905usi20040123_095251_2.cif
_cod_data_source_block           293c0x
_cod_database_code               4311128
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
As1 As 0.13159(4) 0.31304(4) 0.24439(3) 0.02034(8) Uani 1 1 d . . .
As2 As 0.54780(4) 0.88737(4) 0.27164(3) 0.02040(8) Uani 1 1 d . . .
Rb1 Rb 0.56569(4) 0.48042(4) 0.24735(4) 0.03133(9) Uani 1 1 d . . .
Rb2 Rb -0.10201(4) 0.26079(5) 0.48132(4) 0.03770(10) Uani 1 1 d . . .
Rb3 Rb -0.26308(4) 0.01789(4) 0.03980(4) 0.03430(9) Uani 1 1 d . . .
Rb4 Rb 0.1082(5) 0.6838(5) 0.1300(4) 0.0650(10) Uani 0.50 1 d P . .
Rb5 Rb 0.1186(4) 0.6828(5) 0.1170(4) 0.0340(5) Uani 0.50 1 d P . .
Mn1 Mn 0.34889(6) 0.13807(6) 0.42682(5) 0.02403(12) Uani 1 1 d . . .
S1 S 0.52806(10) 1.12018(10) 0.27212(8) 0.02542(18) Uani 1 1 d . . .
S2 S 0.39747(9) 0.83252(10) 0.38287(8) 0.02387(18) Uani 1 1 d . . .
S3 S 0.30611(10) 0.41529(10) 0.42396(8) 0.02761(19) Uani 1 1 d . . .
S4 S 0.48578(13) 0.73868(11) 0.08088(9) 0.0365(2) Uani 1 1 d . . .
S5 S 0.09321(10) 0.07639(10) 0.24468(9) 0.0292(2) Uani 1 1 d . . .
S6 S 0.21339(10) 0.33159(11) 0.08509(8) 0.02844(19) Uani 1 1 d . . .
S7 S -0.07453(11) 0.41987(12) 0.24063(11) 0.0382(2) Uani 1 1 d . . .
S8 S 0.77191(10) 0.86656(11) 0.38402(9) 0.0317(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 '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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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
_geom_angle_publ_flag
S6 As1 S7 108.78(4) . . ?
S6 As1 S3 110.35(5) . . ?
S7 As1 S3 111.64(5) . . ?
S6 As1 S5 112.35(4) . . ?
S7 As1 S5 110.97(4) . . ?
S3 As1 S5 102.70(4) . . ?
S6 As1 Rb2 167.78(3) . . ?
S7 As1 Rb2 62.25(3) . . ?
S3 As1 Rb2 81.42(4) . . ?
S5 As1 Rb2 66.52(3) . . ?
S6 As1 Rb4 58.05(6) . . ?
S7 As1 Rb4 62.65(6) . . ?
S3 As1 Rb4 96.11(7) . . ?
S5 As1 Rb4 161.10(7) . . ?
Rb2 As1 Rb4 118.97(5) . . ?
S6 As1 Rb5 55.55(5) . . ?
S7 As1 Rb5 64.75(5) . . ?
S3 As1 Rb5 96.67(7) . . ?
S5 As1 Rb5 160.15(6) . . ?
Rb2 As1 Rb5 121.48(4) . . ?
Rb4 As1 Rb5 2.53(9) . . ?
S6 As1 Rb3 98.18(3) . . ?
S7 As1 Rb3 66.31(4) . . ?
S3 As1 Rb3 149.67(3) . . ?
S5 As1 Rb3 55.14(3) . . ?
Rb2 As1 Rb3 70.94(3) . . ?
Rb4 As1 Rb3 107.92(7) . . ?
Rb5 As1 Rb3 108.16(6) . . ?
S6 As1 Rb5 51.42(5) . 2_565 ?
S7 As1 Rb5 64.76(5) . 2_565 ?
S3 As1 Rb5 151.68(6) . 2_565 ?
S5 As1 Rb5 104.61(6) . 2_565 ?
Rb2 As1 Rb5 116.49(5) . 2_565 ?
Rb4 As1 Rb5 56.50(6) . 2_565 ?
Rb5 As1 Rb5 55.64(10) . 2_565 ?
Rb3 As1 Rb5 57.29(5) . 2_565 ?
S6 As1 Rb1 51.79(3) . . ?
S7 As1 Rb1 130.89(4) . . ?
S3 As1 Rb1 58.75(3) . . ?
S5 As1 Rb1 118.14(3) . . ?
Rb2 As1 Rb1 140.156(16) . . ?
Rb4 As1 Rb1 70.45(6) . . ?
Rb5 As1 Rb1 68.81(5) . . ?
Rb3 As1 Rb1 146.898(17) . . ?
Rb5 As1 Rb1 101.00(5) 2_565 . ?
S4 As2 S1 110.79(4) . . ?
S4 As2 S8 114.09(4) . . ?
S1 As2 S8 110.79(4) . . ?
S4 As2 S2 111.13(4) . . ?
S1 As2 S2 107.01(4) . . ?
S8 As2 S2 102.55(4) . . ?
S4 As2 Rb1 65.37(3) . . ?
S1 As2 Rb1 176.02(3) . . ?
S8 As2 Rb1 72.40(3) . . ?
S2 As2 Rb1 74.14(3) . . ?
S4 As2 Rb3 65.76(4) . 1_665 ?
S1 As2 Rb3 65.02(3) . 1_665 ?
S8 As2 Rb3 89.39(4) . 1_665 ?
S2 As2 Rb3 167.65(3) . 1_665 ?
Rb1 As2 Rb3 113.163(15) . 1_665 ?
S4 As2 Rb5 60.50(6) . . ?
S1 As2 Rb5 103.54(7) . . ?
S8 As2 Rb5 144.04(7) . . ?
S2 As2 Rb5 55.91(6) . . ?
Rb1 As2 Rb5 73.82(6) . . ?
Rb3 As2 Rb5 115.25(6) 1_665 . ?
S4 As2 Rb4 62.91(6) . . ?
S1 As2 Rb4 103.52(7) . . ?
S8 As2 Rb4 143.22(7) . . ?
S2 As2 Rb4 53.45(7) . . ?
Rb1 As2 Rb4 73.98(6) . . ?
Rb3 As2 Rb4 117.58(6) 1_665 . ?
Rb5 As2 Rb4 2.51(10) . . ?
S4 As2 Rb3 55.41(4) . 2_565 ?
S1 As2 Rb3 59.92(3) . 2_565 ?
S8 As2 Rb3 151.87(3) . 2_565 ?
S2 As2 Rb3 105.57(4) . 2_565 ?
Rb1 As2 Rb3 116.140(15) . 2_565 ?
Rb3 As2 Rb3 62.50(3) 1_665 2_565 ?
Rb5 As2 Rb3 58.46(6) . 2_565 ?
Rb4 As2 Rb3 60.13(7) . 2_565 ?
S6 Rb1 S7 139.19(3) . 1_655 ?
S6 Rb1 S4 82.32(3) . . ?
S7 Rb1 S4 103.69(3) 1_655 . ?
S6 Rb1 S1 73.82(3) . 1_545 ?
S7 Rb1 S1 85.28(3) 1_655 1_545 ?
S4 Rb1 S1 151.48(3) . 1_545 ?
S6 Rb1 S3 124.01(2) . 2_666 ?
S7 Rb1 S3 87.12(3) 1_655 2_666 ?
S4 Rb1 S3 122.62(3) . 2_666 ?
S1 Rb1 S3 84.35(3) 1_545 2_666 ?
S6 Rb1 S3 62.19(3) . . ?
S7 Rb1 S3 137.61(3) 1_655 . ?
S4 Rb1 S3 117.01(3) . . ?
S1 Rb1 S3 64.84(2) 1_545 . ?
S3 Rb1 S3 61.84(3) 2_666 . ?
S6 Rb1 S4 63.88(3) . 2_665 ?
S7 Rb1 S4 78.25(3) 1_655 2_665 ?
S4 Rb1 S4 76.11(4) . 2_665 ?
S1 Rb1 S4 79.44(3) 1_545 2_665 ?
S3 Rb1 S4 158.92(3) 2_666 2_665 ?
S3 Rb1 S4 121.21(3) . 2_665 ?
S6 Rb1 S8 135.66(2) . . ?
S7 Rb1 S8 77.45(3) 1_655 . ?
S4 Rb1 S8 61.01(3) . . ?
S1 Rb1 S8 147.15(3) 1_545 . ?
S3 Rb1 S8 67.25(2) 2_666 . ?
S3 Rb1 S8 111.47(3) . . ?
S4 Rb1 S8 122.91(3) 2_665 . ?
S6 Rb1 As2 101.63(2) . . ?
S7 Rb1 As2 105.44(2) 1_655 . ?
S4 Rb1 As2 34.52(2) . . ?
S1 Rb1 As2 166.60(2) 1_545 . ?
S3 Rb1 As2 88.12(2) 2_666 . ?
S3 Rb1 As2 101.809(19) . . ?
S4 Rb1 As2 110.25(2) 2_665 . ?
S8 Rb1 As2 34.24(2) . . ?
S6 Rb1 S2 86.48(3) . . ?
S7 Rb1 S2 131.74(3) 1_655 . ?
S4 Rb1 S2 59.43(3) . . ?
S1 Rb1 S2 132.41(3) 1_545 . ?
S3 Rb1 S2 71.47(2) 2_666 . ?
S3 Rb1 S2 67.62(3) . . ?
S4 Rb1 S2 129.60(2) 2_665 . ?
S8 Rb1 S2 54.53(3) . . ?
As2 Rb1 S2 34.206(17) . . ?
S6 Rb1 As1 30.67(2) . . ?
S7 Rb1 As1 149.20(3) 1_655 . ?
S4 Rb1 As1 101.86(3) . . ?
S1 Rb1 As1 64.186(18) 1_545 . ?
S3 Rb1 As1 93.42(2) 2_666 . ?
S3 Rb1 As1 31.594(18) . . ?
S4 Rb1 As1 91.57(2) 2_665 . ?
S8 Rb1 As1 130.832(19) . . ?
As2 Rb1 As1 105.361(17) . . ?
S2 Rb1 As1 76.74(3) . . ?
S6 Rb1 Mn1 120.86(2) . 2_666 ?
S7 Rb1 Mn1 99.95(2) 1_655 2_666 ?
S4 Rb1 Mn1 84.46(3) . 2_666 ?
S1 Rb1 Mn1 121.12(3) 1_545 2_666 ?
S3 Rb1 Mn1 38.30(2) 2_666 2_666 ?
S3 Rb1 Mn1 74.00(3) . 2_666 ?
S4 Rb1 Mn1 159.33(2) 2_665 2_666 ?
S8 Rb1 Mn1 38.207(19) . 2_666 ?
As2 Rb1 Mn1 49.962(19) . 2_666 ?
S2 Rb1 Mn1 38.962(19) . 2_666 ?
As1 Rb1 Mn1 99.364(17) . 2_666 ?
S8 Rb2 S7 114.15(3) 2_666 . ?
S8 Rb2 S8 80.69(3) 2_666 1_445 ?
S7 Rb2 S8 116.52(3) . 1_445 ?
S8 Rb2 S1 140.60(3) 2_666 1_445 ?
S7 Rb2 S1 81.63(3) . 1_445 ?
S8 Rb2 S1 60.30(2) 1_445 1_445 ?
S8 Rb2 S2 109.27(3) 2_666 2_566 ?
S7 Rb2 S2 136.41(3) . 2_566 ?
S8 Rb2 S2 66.61(2) 1_445 2_566 ?
S1 Rb2 S2 61.94(3) 1_445 2_566 ?
S8 Rb2 S7 77.36(3) 2_666 2_566 ?
S7 Rb2 S7 99.61(4) . 2_566 ?
S8 Rb2 S7 143.01(3) 1_445 2_566 ?
S1 Rb2 S7 137.96(2) 1_445 2_566 ?
S2 Rb2 S7 93.16(3) 2_566 2_566 ?
S8 Rb2 S5 67.59(3) 2_666 . ?
S7 Rb2 S5 60.59(3) . . ?
S8 Rb2 S5 72.74(3) 1_445 . ?
S1 Rb2 S5 93.87(3) 1_445 . ?
S2 Rb2 S5 139.05(3) 2_566 . ?
S7 Rb2 S5 123.60(3) 2_566 . ?
S8 Rb2 S3 135.94(3) 2_666 2_566 ?
S7 Rb2 S3 82.53(3) . 2_566 ?
S8 Rb2 S3 129.96(3) 1_445 2_566 ?
S1 Rb2 S3 79.54(3) 1_445 2_566 ?
S2 Rb2 S3 68.72(3) 2_566 2_566 ?
S7 Rb2 S3 59.27(3) 2_566 2_566 ?
S5 Rb2 S3 143.12(2) . 2_566 ?
S8 Rb2 As1 81.73(3) 2_666 . ?
S7 Rb2 As1 33.378(19) . . ?
S8 Rb2 As1 105.07(2) 1_445 . ?
S1 Rb2 As1 102.11(3) 1_445 . ?
S2 Rb2 As1 163.961(19) 2_566 . ?
S7 Rb2 As1 100.81(3) 2_566 . ?
S5 Rb2 As1 33.65(2) . . ?
S3 Rb2 As1 111.92(2) 2_566 . ?
S8 Rb2 Rb4 74.87(6) 2_666 2_566 ?
S7 Rb2 Rb4 149.63(6) . 2_566 ?
S8 Rb2 Rb4 93.19(6) 1_445 2_566 ?
S1 Rb2 Rb4 110.31(6) 1_445 2_566 ?
S2 Rb2 Rb4 48.54(6) 2_566 2_566 ?
S7 Rb2 Rb4 52.48(6) 2_566 2_566 ?
S5 Rb2 Rb4 141.43(6) . 2_566 ?
S3 Rb2 Rb4 72.89(6) 2_566 2_566 ?
As1 Rb2 Rb4 147.49(6) . 2_566 ?
S8 Rb2 Rb5 75.89(5) 2_666 2_566 ?
S7 Rb2 Rb5 149.74(6) . 2_566 ?
S8 Rb2 Rb5 92.83(6) 1_445 2_566 ?
S1 Rb2 Rb5 109.18(5) 1_445 2_566 ?
S2 Rb2 Rb5 47.44(5) 2_566 2_566 ?
S7 Rb2 Rb5 53.12(6) 2_566 2_566 ?
S5 Rb2 Rb5 142.28(5) . 2_566 ?
S3 Rb2 Rb5 72.30(5) 2_566 2_566 ?
As1 Rb2 Rb5 148.60(5) . 2_566 ?
Rb4 Rb2 Rb5 1.16(10) 2_566 2_566 ?
S8 Rb2 Rb1 162.28(2) 2_666 1_455 ?
S7 Rb2 Rb1 48.29(2) . 1_455 ?
S8 Rb2 Rb1 108.29(3) 1_445 1_455 ?
S1 Rb2 Rb1 48.95(2) 1_445 1_455 ?
S2 Rb2 Rb1 88.43(3) 2_566 1_455 ?
S7 Rb2 Rb1 101.38(3) 2_566 1_455 ?
S5 Rb2 Rb1 99.87(3) . 1_455 ?
S3 Rb2 Rb1 49.03(2) 2_566 1_455 ?
As1 Rb2 Rb1 81.17(3) . 1_455 ?
Rb4 Rb2 Rb1 118.69(6) 2_566 1_455 ?
Rb5 Rb2 Rb1 117.82(5) 2_566 1_455 ?
S6 Rb3 S5 89.72(3) 2 . ?
S6 Rb3 S4 132.16(3) 2 2_565 ?
S5 Rb3 S4 131.80(3) . 2_565 ?
S6 Rb3 S1 122.21(2) 2 1_445 ?
S5 Rb3 S1 98.08(4) . 1_445 ?
S4 Rb3 S1 80.04(3) 2_565 1_445 ?
S6 Rb3 S4 64.79(3) 2 1_445 ?
S5 Rb3 S4 113.38(3) . 1_445 ?
S4 Rb3 S4 106.86(3) 2_565 1_445 ?
S1 Rb3 S4 59.61(3) 1_445 1_445 ?
S6 Rb3 S1 72.13(3) 2 2_565 ?
S5 Rb3 S1 152.90(2) . 2_565 ?
S4 Rb3 S1 60.29(3) 2_565 2_565 ?
S1 Rb3 S1 108.56(3) 1_445 2_565 ?
S4 Rb3 S1 77.52(3) 1_445 2_565 ?
S6 Rb3 S5 61.08(2) 2 2 ?
S5 Rb3 S5 90.31(4) . 2 ?
S4 Rb3 S5 91.71(3) 2_565 2 ?
S1 Rb3 S5 170.88(2) 1_445 2 ?
S4 Rb3 S5 120.11(3) 1_445 2 ?
S1 Rb3 S5 63.48(3) 2_565 2 ?
S6 Rb3 S7 146.66(3) 2 . ?
S5 Rb3 S7 58.88(2) . . ?
S4 Rb3 S7 74.15(3) 2_565 . ?
S1 Rb3 S7 76.86(3) 1_445 . ?
S4 Rb3 S7 134.89(3) 1_445 . ?
S1 Rb3 S7 131.50(2) 2_565 . ?
S5 Rb3 S7 104.76(3) 2 . ?
S6 Rb3 As2 89.15(3) 2 1_445 ?
S5 Rb3 As2 93.08(3) . 1_445 ?
S4 Rb3 As2 107.74(3) 2_565 1_445 ?
S1 Rb3 As2 33.59(2) 1_445 1_445 ?
S4 Rb3 As2 33.006(17) 1_445 1_445 ?
S1 Rb3 As2 106.24(3) 2_565 1_445 ?
S5 Rb3 As2 150.03(2) 2 1_445 ?
S7 Rb3 As2 102.43(3) . 1_445 ?
S6 Rb3 Rb5 115.37(5) 2 2_565 ?
S5 Rb3 Rb5 88.28(6) . 2_565 ?
S4 Rb3 Rb5 55.59(5) 2_565 2_565 ?
S1 Rb3 Rb5 122.00(5) 1_445 2_565 ?
S4 Rb3 Rb5 158.22(6) 1_445 2_565 ?
S1 Rb3 Rb5 81.92(6) 2_565 2_565 ?
S5 Rb3 Rb5 54.34(5) 2 2_565 ?
S7 Rb3 Rb5 57.81(6) . 2_565 ?
As2 Rb3 Rb5 155.46(5) 1_445 2_565 ?
S6 Rb3 Rb4 113.49(6) 2 2_565 ?
S5 Rb3 Rb4 88.11(7) . 2_565 ?
S4 Rb3 Rb4 56.79(6) 2_565 2_565 ?
S1 Rb3 Rb4 123.87(6) 1_445 2_565 ?
S4 Rb3 Rb4 158.12(6) 1_445 2_565 ?
S1 Rb3 Rb4 81.28(7) 2_565 2_565 ?
S5 Rb3 Rb4 52.48(6) 2 2_565 ?
S7 Rb3 Rb4 59.23(7) . 2_565 ?
As2 Rb3 Rb4 157.34(6) 1_445 2_565 ?
Rb5 Rb3 Rb4 1.88(10) 2_565 2_565 ?
S6 Rb3 As2 101.68(3) 2 2_565 ?
S5 Rb3 As2 147.16(2) . 2_565 ?
S4 Rb3 As2 30.737(17) 2_565 2_565 ?
S1 Rb3 As2 101.40(3) 1_445 2_565 ?
S4 Rb3 As2 99.28(3) 1_445 2_565 ?
S1 Rb3 As2 31.328(19) 2_565 2_565 ?
S5 Rb3 As2 69.49(3) 2 2_565 ?
S7 Rb3 As2 100.35(3) . 2_565 ?
As2 Rb3 As2 117.50(3) 1_445 2_565 ?
Rb5 Rb3 As2 58.97(6) 2_565 2_565 ?
Rb4 Rb3 As2 59.07(6) 2_565 2_565 ?
S6 Rb4 S2 157.94(14) 2_565 . ?
S6 Rb4 S6 108.57(12) 2_565 . ?
S2 Rb4 S6 93.33(11) . . ?
S6 Rb4 S5 87.34(10) 2_565 1_565 ?
S2 Rb4 S5 70.78(9) . 1_565 ?
S6 Rb4 S5 164.08(15) . 1_565 ?
S6 Rb4 S7 88.99(10) 2_565 . ?
S2 Rb4 S7 99.88(12) . . ?
S6 Rb4 S7 60.74(8) . . ?
S5 Rb4 S7 121.71(11) 1_565 . ?
S6 Rb4 S4 124.44(13) 2_565 . ?
S2 Rb4 S4 61.59(8) . . ?
S6 Rb4 S4 78.06(8) . . ?
S5 Rb4 S4 92.82(10) 1_565 . ?
S7 Rb4 S4 134.30(13) . . ?
S6 Rb4 Rb5 55.02(8) 2_565 2_565 ?
S2 Rb4 Rb5 146.52(8) . 2_565 ?
S6 Rb4 Rb5 53.66(7) . 2_565 ?
S5 Rb4 Rb5 142.25(8) 1_565 2_565 ?
S7 Rb4 Rb5 61.44(7) . 2_565 ?
S4 Rb4 Rb5 109.95(8) . 2_565 ?
S6 Rb4 Rb4 55.25(11) 2_565 2_565 ?
S2 Rb4 Rb4 146.6(2) . 2_565 ?
S6 Rb4 Rb4 53.33(10) . 2_565 ?
S5 Rb4 Rb4 142.59(19) 1_565 2_565 ?
S7 Rb4 Rb4 63.99(12) . 2_565 ?
S4 Rb4 Rb4 107.41(14) . 2_565 ?
Rb5 Rb4 Rb4 2.80(10) 2_565 2_565 ?
S6 Rb4 S7 56.94(7) 2_565 2_565 ?
S2 Rb4 S7 131.90(11) . 2_565 ?
S6 Rb4 S7 81.40(8) . 2_565 ?
S5 Rb4 S7 108.09(12) 1_565 2_565 ?
S7 Rb4 S7 117.75(12) . 2_565 ?
S4 Rb4 S7 70.60(7) . 2_565 ?
Rb5 Rb4 S7 56.32(6) 2_565 2_565 ?
Rb4 Rb4 S7 53.75(10) 2_565 2_565 ?
S6 Rb4 As1 112.07(11) 2_565 . ?
S2 Rb4 As1 84.92(10) . . ?
S6 Rb4 As1 32.70(5) . . ?
S5 Rb4 As1 141.39(12) 1_565 . ?
S7 Rb4 As1 32.74(4) . . ?
S4 Rb4 As1 101.62(10) . . ?
Rb5 Rb4 As1 64.34(7) 2_565 . ?
Rb4 Rb4 As1 65.70(12) 2_565 . ?
S7 Rb4 As1 110.46(10) 2_565 . ?
S6 Rb4 As2 143.51(13) 2_565 . ?
S2 Rb4 As2 32.37(4) . . ?
S6 Rb4 As2 93.14(9) . . ?
S5 Rb4 As2 72.93(8) 1_565 . ?
S7 Rb4 As2 127.47(13) . . ?
S4 Rb4 As2 31.32(4) . . ?
Rb5 Rb4 As2 138.88(7) 2_565 . ?
Rb4 Rb4 As2 136.70(15) 2_565 . ?
S7 Rb4 As2 99.83(8) 2_565 . ?
As1 Rb4 As2 102.11(10) . . ?
S6 Rb4 Rb3 82.75(10) 2_565 2_565 ?
S2 Rb4 Rb3 88.10(10) . 2_565 ?
S6 Rb4 Rb3 121.39(10) . 2_565 ?
S5 Rb4 Rb3 58.82(7) 1_565 2_565 ?
S7 Rb4 Rb3 171.72(13) . 2_565 ?
S4 Rb4 Rb3 51.89(6) . 2_565 ?
Rb5 Rb4 Rb3 112.57(7) 2_565 2_565 ?
Rb4 Rb4 Rb3 110.16(16) 2_565 2_565 ?
S7 Rb4 Rb3 56.73(6) 2_565 2_565 ?
As1 Rb4 Rb3 152.11(10) . 2_565 ?
As2 Rb4 Rb3 60.80(6) . 2_565 ?
S6 Rb5 S2 155.09(12) 2_565 . ?
S6 Rb5 S6 109.31(12) 2_565 . ?
S2 Rb5 S6 93.30(10) . . ?
S6 Rb5 S4 129.53(12) 2_565 . ?
S2 Rb5 S4 62.97(7) . . ?
S6 Rb5 S4 80.64(7) . . ?
S6 Rb5 S5 86.61(9) 2_565 1_565 ?
S2 Rb5 S5 69.87(8) . 1_565 ?
S6 Rb5 S5 162.66(14) . 1_565 ?
S4 Rb5 S5 94.68(10) . 1_565 ?
S6 Rb5 S7 86.61(8) 2_565 . ?
S2 Rb5 S7 96.47(10) . . ?
S6 Rb5 S7 59.51(7) . . ?
S4 Rb5 S7 134.65(12) . . ?
S5 Rb5 S7 116.65(8) 1_565 . ?
S6 Rb5 S7 58.72(7) 2_565 2_565 ?
S2 Rb5 S7 136.77(9) . 2_565 ?
S6 Rb5 S7 84.23(8) . 2_565 ?
S4 Rb5 S7 74.10(6) . 2_565 ?
S5 Rb5 S7 110.71(11) 1_565 2_565 ?
S7 Rb5 S7 118.28(11) . 2_565 ?
S6 Rb5 Rb5 55.25(10) 2_565 2_565 ?
S2 Rb5 Rb5 145.91(19) . 2_565 ?
S6 Rb5 Rb5 54.07(10) . 2_565 ?
S4 Rb5 Rb5 113.85(11) . 2_565 ?
S5 Rb5 Rb5 141.29(16) 1_565 2_565 ?
S7 Rb5 Rb5 60.49(10) . 2_565 ?
S7 Rb5 Rb5 57.78(10) 2_565 2_565 ?
S6 Rb5 Rb4 55.58(8) 2_565 2_565 ?
S2 Rb5 Rb4 146.47(7) . 2_565 ?
S6 Rb5 Rb4 53.83(8) . 2_565 ?
S4 Rb5 Rb4 111.32(7) . 2_565 ?
S5 Rb5 Rb4 142.04(6) 1_565 2_565 ?
S7 Rb5 Rb4 63.09(7) . 2_565 ?
S7 Rb5 Rb4 55.20(7) 2_565 2_565 ?
Rb5 Rb5 Rb4 2.84(10) 2_565 2_565 ?
S6 Rb5 Rb3 84.95(9) 2_565 2_565 ?
S2 Rb5 Rb3 90.00(9) . 2_565 ?
S6 Rb5 Rb3 126.42(8) . 2_565 ?
S4 Rb5 Rb3 54.03(5) . 2_565 ?
S5 Rb5 Rb3 59.96(7) 1_565 2_565 ?
S7 Rb5 Rb3 171.08(11) . 2_565 ?
S7 Rb5 Rb3 59.09(6) 2_565 2_565 ?
Rb5 Rb5 Rb3 116.19(15) 2_565 2_565 ?
Rb4 Rb5 Rb3 113.81(7) 2_565 2_565 ?
S6 Rb5 As2 147.15(13) 2_565 . ?
S2 Rb5 As2 33.11(4) . . ?
S6 Rb5 As2 94.93(8) . . ?
S4 Rb5 As2 32.01(4) . . ?
S5 Rb5 As2 73.41(8) 1_565 . ?
S7 Rb5 As2 125.50(11) . . ?
S7 Rb5 As2 103.92(7) 2_565 . ?
Rb5 Rb5 As2 142.71(12) 2_565 . ?
Rb4 Rb5 As2 140.66(5) 2_565 . ?
Rb3 Rb5 As2 62.57(6) 2_565 . ?
S6 Rb5 As1 110.25(10) 2_565 . ?
S2 Rb5 As1 83.32(9) . . ?
S6 Rb5 As1 32.00(4) . . ?
S4 Rb5 As1 102.90(9) . . ?
S5 Rb5 As1 136.58(10) 1_565 . ?
S7 Rb5 As1 31.98(4) . . ?
S7 Rb5 As1 112.21(10) 2_565 . ?
Rb5 Rb5 As1 63.81(12) 2_565 . ?
Rb4 Rb5 As1 65.25(7) 2_565 . ?
Rb3 Rb5 As1 156.05(8) 2_565 . ?
As2 Rb5 As1 102.08(9) . . ?
S3 Mn1 S5 81.57(3) . . ?
S3 Mn1 S8 97.76(3) . 2_666 ?
S5 Mn1 S8 97.07(4) . 2_666 ?
S3 Mn1 S1 91.02(3) . 1_545 ?
S5 Mn1 S1 95.38(4) . 1_545 ?
S8 Mn1 S1 165.68(3) 2_666 1_545 ?
S3 Mn1 S2 105.04(3) . 2_666 ?
S5 Mn1 S2 172.89(3) . 2_666 ?
S8 Mn1 S2 79.63(4) 2_666 2_666 ?
S1 Mn1 S2 87.20(4) 1_545 2_666 ?
S3 Mn1 S2 169.34(3) . 1_545 ?
S5 Mn1 S2 93.32(3) . 1_545 ?
S8 Mn1 S2 92.14(3) 2_666 1_545 ?
S1 Mn1 S2 80.10(3) 1_545 1_545 ?
S2 Mn1 S2 80.58(3) 2_666 1_545 ?
S3 Mn1 Rb1 54.69(3) . 2_666 ?
S5 Mn1 Rb1 122.52(3) . 2_666 ?
S8 Mn1 Rb1 60.01(3) 2_666 2_666 ?
S1 Mn1 Rb1 118.02(3) 1_545 2_666 ?
S2 Mn1 Rb1 61.31(3) 2_666 2_666 ?
S2 Mn1 Rb1 135.05(3) 1_545 2_666 ?
As2 S1 Mn1 88.67(3) . 1_565 ?
As2 S1 Rb1 167.43(4) . 1_565 ?
Mn1 S1 Rb1 103.35(3) 1_565 1_565 ?
As2 S1 Rb3 81.39(3) . 1_665 ?
Mn1 S1 Rb3 168.38(4) 1_565 1_665 ?
Rb1 S1 Rb3 87.01(2) 1_565 1_665 ?
As2 S1 Rb2 94.32(3) . 1_665 ?
Mn1 S1 Rb2 104.36(4) 1_565 1_665 ?
Rb1 S1 Rb2 79.31(2) 1_565 1_665 ?
Rb3 S1 Rb2 82.49(3) 1_665 1_665 ?
As2 S1 Rb3 88.76(3) . 2_565 ?
Mn1 S1 Rb3 102.53(4) 1_565 2_565 ?
Rb1 S1 Rb3 92.13(3) 1_565 2_565 ?
Rb3 S1 Rb3 71.44(3) 1_665 2_565 ?
Rb2 S1 Rb3 152.99(3) 1_665 2_565 ?
As2 S2 Mn1 86.75(4) . 2_666 ?
As2 S2 Mn1 84.01(3) . 1_565 ?
Mn1 S2 Mn1 99.42(3) 2_666 1_565 ?
As2 S2 Rb4 94.18(8) . . ?
Mn1 S2 Rb4 161.84(8) 2_666 . ?
Mn1 S2 Rb4 98.71(8) 1_565 . ?
As2 S2 Rb5 90.97(7) . . ?
Mn1 S2 Rb5 161.07(7) 2_666 . ?
Mn1 S2 Rb5 99.02(7) 1_565 . ?
Rb4 S2 Rb5 3.27(11) . . ?
As2 S2 Rb2 170.52(4) . 2_566 ?
Mn1 S2 Rb2 102.73(4) 2_666 2_566 ?
Mn1 S2 Rb2 94.20(3) 1_565 2_566 ?
Rb4 S2 Rb2 76.85(8) . 2_566 ?
Rb5 S2 Rb2 80.09(6) . 2_566 ?
As2 S2 Rb1 71.65(3) . . ?
Mn1 S2 Rb1 79.73(3) 2_666 . ?
Mn1 S2 Rb1 155.67(3) 1_565 . ?
Rb4 S2 Rb1 83.35(7) . . ?
Rb5 S2 Rb1 81.71(6) . . ?
Rb2 S2 Rb1 109.78(3) 2_566 . ?
As1 S3 Mn1 86.49(4) . . ?
As1 S3 Rb1 152.14(4) . 2_666 ?
Mn1 S3 Rb1 87.01(3) . 2_666 ?
As1 S3 Rb1 89.66(4) . . ?
Mn1 S3 Rb1 100.21(3) . . ?
Rb1 S3 Rb1 118.16(3) 2_666 . ?
As1 S3 Rb2 93.19(4) . 2_566 ?
Mn1 S3 Rb2 146.95(4) . 2_566 ?
Rb1 S3 Rb2 77.98(2) 2_666 2_566 ?
Rb1 S3 Rb2 112.84(3) . 2_566 ?
As2 S4 Rb1 80.12(4) . . ?
As2 S4 Rb3 93.85(4) . 2_565 ?
Rb1 S4 Rb3 154.29(4) . 2_565 ?
As2 S4 Rb5 87.49(7) . . ?
Rb1 S4 Rb5 84.33(7) . . ?
Rb3 S4 Rb5 70.38(7) 2_565 . ?
As2 S4 Rb3 81.24(4) . 1_665 ?
Rb1 S4 Rb3 129.56(4) . 1_665 ?
Rb3 S4 Rb3 73.14(3) 2_565 1_665 ?
Rb5 S4 Rb3 140.86(7) . 1_665 ?
As2 S4 Rb1 170.68(5) . 2_665 ?
Rb1 S4 Rb1 103.89(4) . 2_665 ?
Rb3 S4 Rb1 86.02(3) 2_565 2_665 ?
Rb5 S4 Rb1 101.20(7) . 2_665 ?
Rb3 S4 Rb1 89.83(3) 1_665 2_665 ?
As2 S4 Rb4 85.76(8) . . ?
Rb1 S4 Rb4 83.26(8) . . ?
Rb3 S4 Rb4 71.32(8) 2_565 . ?
Rb5 S4 Rb4 1.90(13) . . ?
Rb3 S4 Rb4 141.07(8) 1_665 . ?
Rb1 S4 Rb4 102.97(7) 2_665 . ?
As1 S5 Mn1 85.94(3) . . ?
As1 S5 Rb3 93.04(3) . . ?
Mn1 S5 Rb3 172.15(4) . . ?
As1 S5 Rb4 153.85(8) . 1_545 ?
Mn1 S5 Rb4 96.90(8) . 1_545 ?
Rb3 S5 Rb4 87.45(7) . 1_545 ?
As1 S5 Rb5 150.83(7) . 1_545 ?
Mn1 S5 Rb5 96.95(7) . 1_545 ?
Rb3 S5 Rb5 87.74(7) . 1_545 ?
Rb4 S5 Rb5 3.02(11) 1_545 1_545 ?
As1 S5 Rb2 79.83(3) . . ?
Mn1 S5 Rb2 89.03(4) . . ?
Rb3 S5 Rb2 83.13(3) . . ?
Rb4 S5 Rb2 126.09(7) 1_545 . ?
Rb5 S5 Rb2 129.10(6) 1_545 . ?
As1 S5 Rb3 85.14(3) . 2 ?
Mn1 S5 Rb3 97.97(4) . 2 ?
Rb3 S5 Rb3 89.69(4) . 2 ?
Rb4 S5 Rb3 68.70(7) 1_545 2 ?
Rb5 S5 Rb3 65.69(6) 1_545 2 ?
Rb2 S5 Rb3 162.94(3) . 2 ?
As1 S6 Rb3 101.08(4) . 2 ?
As1 S6 Rb5 97.93(7) . 2_565 ?
Rb3 S6 Rb5 95.53(7) 2 2_565 ?
As1 S6 Rb4 101.25(8) . 2_565 ?
Rb3 S6 Rb4 94.41(8) 2 2_565 ?
Rb5 S6 Rb4 3.34(12) 2_565 2_565 ?
As1 S6 Rb1 97.54(4) . . ?
Rb3 S6 Rb1 101.09(3) 2 . ?
Rb5 S6 Rb1 154.62(8) 2_565 . ?
Rb4 S6 Rb1 152.82(8) 2_565 . ?
As1 S6 Rb5 92.46(7) . . ?
Rb3 S6 Rb5 162.02(8) 2 . ?
Rb5 S6 Rb5 70.69(12) 2_565 . ?
Rb4 S6 Rb5 71.16(8) 2_565 . ?
Rb1 S6 Rb5 88.67(7) . . ?
As1 S6 Rb4 89.25(8) . . ?
Rb3 S6 Rb4 164.02(8) 2 . ?
Rb5 S6 Rb4 70.76(8) 2_565 . ?
Rb4 S6 Rb4 71.43(12) 2_565 . ?
Rb1 S6 Rb4 89.47(8) . . ?
Rb5 S6 Rb4 3.23(12) . . ?
As1 S7 Rb1 161.51(5) . 1_455 ?
As1 S7 Rb2 84.38(3) . . ?
Rb1 S7 Rb2 81.37(2) 1_455 . ?
As1 S7 Rb4 84.60(8) . . ?
Rb1 S7 Rb4 113.43(7) 1_455 . ?
Rb2 S7 Rb4 150.57(8) . . ?
As1 S7 Rb2 94.05(4) . 2_566 ?
Rb1 S7 Rb2 95.11(3) 1_455 2_566 ?
Rb2 S7 Rb2 80.39(4) . 2_566 ?
Rb4 S7 Rb2 73.27(8) . 2_566 ?
As1 S7 Rb5 83.27(6) . . ?
Rb1 S7 Rb5 114.64(6) 1_455 . ?
Rb2 S7 Rb5 151.47(7) . . ?
Rb4 S7 Rb5 2.06(11) . . ?
Rb2 S7 Rb5 74.97(7) 2_566 . ?
As1 S7 Rb5 84.25(6) . 2_565 ?
Rb1 S7 Rb5 99.86(5) 1_455 2_565 ?
Rb2 S7 Rb5 141.96(7) . 2_565 ?
Rb4 S7 Rb5 63.36(7) . 2_565 ?
Rb2 S7 Rb5 136.59(7) 2_566 2_565 ?
Rb5 S7 Rb5 61.72(11) . 2_565 ?
As1 S7 Rb3 82.74(4) . . ?
Rb1 S7 Rb3 83.13(3) 1_455 . ?
Rb2 S7 Rb3 79.50(3) . . ?
Rb4 S7 Rb3 125.86(8) . . ?
Rb2 S7 Rb3 159.85(3) 2_566 . ?
Rb5 S7 Rb3 124.03(7) . . ?
Rb5 S7 Rb3 63.10(7) 2_565 . ?
As1 S7 Rb4 83.04(7) . 2_565 ?
Rb1 S7 Rb4 101.34(6) 1_455 2_565 ?
Rb2 S7 Rb4 142.59(7) . 2_565 ?
Rb4 S7 Rb4 62.25(12) . 2_565 ?
Rb2 S7 Rb4 135.52(7) 2_566 2_565 ?
Rb5 S7 Rb4 60.59(6) . 2_565 ?
Rb5 S7 Rb4 1.60(11) 2_565 2_565 ?
Rb3 S7 Rb4 64.04(7) . 2_565 ?
As2 S8 Mn1 88.64(4) . 2_666 ?
As2 S8 Rb2 165.61(5) . 2_666 ?
Mn1 S8 Rb2 93.30(4) 2_666 2_666 ?
As2 S8 Rb2 94.51(3) . 1_665 ?
Mn1 S8 Rb2 98.12(3) 2_666 1_665 ?
Rb2 S8 Rb2 99.31(3) 2_666 1_665 ?
As2 S8 Rb1 73.36(3) . . ?
Mn1 S8 Rb1 81.78(3) 2_666 . ?
Rb2 S8 Rb1 92.79(3) 2_666 . ?
Rb2 S8 Rb1 167.87(3) 1_665 . ?
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
As1 S6 2.1379(11) . ?
As1 S7 2.1498(11) . ?
As1 S3 2.1765(11) . ?
As1 S5 2.1894(12) . ?
As1 Rb2 3.8888(11) . ?
As1 Rb4 3.957(5) . ?
As1 Rb5 4.031(4) . ?
As1 Rb3 4.1472(12) . ?
As1 Rb5 4.154(4) 2_565 ?
As1 Rb1 4.1545(14) . ?
As2 S4 2.1229(12) . ?
As2 S1 2.1553(11) . ?
As2 S8 2.1675(11) . ?
As2 S2 2.1861(10) . ?
As2 Rb1 3.6910(14) . ?
As2 Rb3 3.8519(10) 1_665 ?
As2 Rb5 4.001(4) . ?
As2 Rb4 4.073(4) . ?
As2 Rb3 4.1443(12) 2_565 ?
Rb1 S6 3.2927(14) . ?
Rb1 S7 3.3538(15) 1_655 ?
Rb1 S4 3.4057(13) . ?
Rb1 S1 3.4085(14) 1_545 ?
Rb1 S3 3.4287(15) 2_666 ?
Rb1 S3 3.5516(13) . ?
Rb1 S4 3.5839(15) 2_665 ?
Rb1 S8 3.6720(15) . ?
Rb1 S2 3.7407(13) . ?
Rb1 Mn1 4.1960(13) 2_666 ?
Rb2 S8 3.4272(13) 2_666 ?
Rb2 S7 3.4581(14) . ?
Rb2 S8 3.5340(16) 1_445 ?
Rb2 S1 3.5492(14) 1_445 ?
Rb2 S2 3.5685(13) 2_566 ?
Rb2 S7 3.6122(15) 2_566 ?
Rb2 S5 3.6239(13) . ?
Rb2 S3 3.6262(13) 2_566 ?
Rb2 Rb4 4.263(4) 2_566 ?
Rb2 Rb5 4.433(4) 2_566 ?
Rb2 Rb1 4.4414(11) 1_455 ?
Rb3 S6 3.2337(14) 2 ?
Rb3 S5 3.4079(14) . ?
Rb3 S4 3.4194(13) 2_565 ?
Rb3 S1 3.5315(13) 1_445 ?
Rb3 S4 3.5537(14) 1_445 ?
Rb3 S1 3.5869(14) 2_565 ?
Rb3 S5 3.7803(15) 2 ?
Rb3 S7 3.8285(16) . ?
Rb3 As2 3.8518(10) 1_445 ?
Rb3 Rb5 3.980(4) 2_565 ?
Rb3 Rb4 4.117(4) 2_565 ?
Rb3 As2 4.1443(11) 2_565 ?
Rb4 S6 3.278(5) 2_565 ?
Rb4 S2 3.281(5) . ?
Rb4 S6 3.358(4) . ?
Rb4 S5 3.505(4) 1_565 ?
Rb4 S7 3.530(4) . ?
Rb4 S4 3.636(4) . ?
Rb4 Rb5 3.8432(14) 2_565 ?
Rb4 Rb4 3.874(9) 2_565 ?
Rb4 S7 3.934(5) 2_565 ?
Rb4 Rb3 4.117(4) 2_565 ?
Rb5 S6 3.279(4) 2_565 ?
Rb5 S2 3.314(4) . ?
Rb5 S6 3.327(4) . ?
Rb5 S4 3.486(3) . ?
Rb5 S5 3.548(4) 1_565 ?
Rb5 S7 3.671(4) . ?
Rb5 S7 3.776(4) 2_565 ?
Rb5 Rb5 3.822(8) 2_565 ?
Rb5 Rb4 3.8432(14) 2_565 ?
Rb5 Rb3 3.980(4) 2_565 ?
Mn1 S3 2.6041(13) . ?
Mn1 S5 2.6157(13) . ?
Mn1 S8 2.6221(13) 2_666 ?
Mn1 S1 2.6296(12) 1_545 ?
Mn1 S2 2.6814(12) 2_666 ?
Mn1 S2 2.7910(14) 1_545 ?
Mn1 Rb1 4.1960(13) 2_666 ?
S1 Mn1 2.6297(12) 1_565 ?
S1 Rb1 3.4085(14) 1_565 ?
S1 Rb3 3.5315(13) 1_665 ?
S1 Rb2 3.5491(14) 1_665 ?
S1 Rb3 3.5869(14) 2_565 ?
S2 Mn1 2.6814(12) 2_666 ?
S2 Mn1 2.7910(14) 1_565 ?
S2 Rb2 3.5685(13) 2_566 ?
S3 Rb1 3.4288(15) 2_666 ?
S3 Rb2 3.6263(13) 2_566 ?
S4 Rb3 3.4196(13) 2_565 ?
S4 Rb3 3.5537(14) 1_665 ?
S4 Rb1 3.5839(15) 2_665 ?
S5 Rb4 3.505(4) 1_545 ?
S5 Rb5 3.548(4) 1_545 ?
S5 Rb3 3.7804(15) 2 ?
S6 Rb3 3.2337(14) 2 ?
S6 Rb5 3.279(4) 2_565 ?
S6 Rb4 3.278(5) 2_565 ?
S7 Rb1 3.3538(15) 1_455 ?
S7 Rb2 3.6122(15) 2_566 ?
S7 Rb5 3.776(4) 2_565 ?
S7 Rb4 3.934(5) 2_565 ?
S8 Mn1 2.6222(13) 2_666 ?
S8 Rb2 3.4272(13) 2_666 ?
S8 Rb2 3.5341(16) 1_665 ?
