#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/98/4339825.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_4339825
loop_
_publ_author_name
'Pichon, Céline'
'Mialane, Pierre'
'Rivière, Eric'
'Blain, Guillaume'
'Dolbecq, Anne'
'Marrot, Jérôme'
'Sécheresse, Francis'
'Duboc, Carole'
_publ_section_title
;
 The highest D value for a Mn(II) ion: investigation of a manganese(II)
 polyoxometalate complex by high-field electron paramagnetic resonance.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7710
_journal_page_last               7712
_journal_paper_doi               10.1021/ic701193f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'As2 Mn O86.5 Rb8 W20'
_chemical_formula_weight         5949.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   20.02380(10)
_cell_length_b                   20.02380(10)
_cell_length_c                   32.8668(3)
_cell_measurement_reflns_used    21724
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.74
_cell_measurement_theta_min      1.33
_cell_volume                     11412.51(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.932
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            25207
_diffrn_reflns_theta_full        29.74
_diffrn_reflns_theta_max         29.74
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    36.332
_exptl_absorpt_correction_T_max  0.0803
_exptl_absorpt_correction_T_min  0.0380
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    5.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallellepiped
_exptl_crystal_F_000             15354
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.969
_refine_diff_density_min         -4.271
_refine_diff_density_rms         0.464
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         6740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0735
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0549P)²+2159.5691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.1898
_reflns_number_gt                5147
_reflns_number_total             6740
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701193f-file003.cif
_cod_data_source_block           apc2b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        11412.50(13)
_cod_original_sg_symbol_H-M      R-3
_cod_original_formula_sum        'As2 Mn O86.50 Rb8 W20'
_cod_database_code               4339825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
W1 W 0.21302(5) 0.62687(5) 0.09631(3) 0.0345(2) Uani 1 1 d .
W2 W 0.37303(6) 0.58591(6) -0.26274(3) 0.0406(2) Uani 1 1 d .
W3 W 0.17568(5) 0.69901(5) 0.01218(3) 0.0354(2) Uani 1 1 d .
W4 W 0.47962(5) 0.61882(5) -0.17825(3) 0.0372(2) Uani 1 1 d .
W5 W 0.14023(5) 0.51682(5) 0.01275(3) 0.0345(2) Uani 1 1 d .
W6 W 0.29556(5) 0.47433(5) -0.17982(3) 0.0377(2) Uani 1 1 d .
As1 As 0.3333 0.6667 -0.16753(10) 0.0288(7) Uani 1 3 d S
As2 As 0.3333 0.6667 0.00094(10) 0.0272(7) Uani 1 3 d S
O1 O 0.2440(8) 0.6356(7) 0.0270(4) 0.027(3) Uani 1 1 d .
O2 O 0.3622(10) 0.6080(9) -0.1940(4) 0.039(4) Uani 1 1 d .
O3 O 0.2709(9) 0.7908(8) 0.0233(4) 0.038(3) Uani 1 1 d .
O4 O 0.3038(9) 0.7232(9) 0.1016(4) 0.039(3) Uani 1 1 d .
O5 O 0.1349(9) 0.5318(9) 0.0708(5) 0.039(3) Uani 1 1 d .
O6 O 0.0524(11) 0.4322(10) 0.0100(6) 0.056(5) Uani 1 1 d .
O7 O 0.4633(11) 0.5989(11) -0.2364(6) 0.052(4) Uani 1 1 d .
O8 O 0.5212(9) 0.7262(8) -0.1902(4) 0.035(3) Uani 1 1 d .
O9 O 0.1655(9) 0.6782(10) 0.0710(5) 0.044(4) Uani 1 1 d .
O10 O 0.2097(12) 0.7065(10) -0.0414(5) 0.053(4) Uani 1 1 d .
O11 O 0.4178(10) 0.6933(9) -0.2694(5) 0.044(4) Uani 1 1 d .
O12 O 0.2898(11) 0.5005(12) -0.1258(6) 0.056(5) Uani 1 1 d .
O13 O 0.4617(12) 0.6409(11) -0.1263(6) 0.058(5) Uani 1 1 d .
O14 O 0.1062(9) 0.5903(9) 0.0043(6) 0.045(4) Uani 1 1 d .
O15 O 0.1764(12) 0.5319(11) -0.0410(5) 0.053(5) Uani 1 1 d .
O16 O 0.1121(11) 0.7329(10) 0.0091(7) 0.061(5) Uani 1 1 d .
O17 O 0.3184(10) 0.4845(10) -0.2376(5) 0.045(4) Uani 1 1 d .
O18 O 0.5603(11) 0.6131(11) -0.1733(6) 0.056(5) Uani 1 1 d .
O19 O 0.4037(10) 0.5099(12) -0.1707(6) 0.053(4) Uani 1 1 d .
O20 O 0.1707(11) 0.6133(12) 0.1423(5) 0.056(5) Uani 1 1 d .
O21 O 0.2623(11) 0.3774(10) -0.1768(6) 0.058(5) Uani 1 1 d .
O22 O 0.3859(12) 0.5571(13) -0.3083(5) 0.063(5) Uani 1 1 d .
O23 O 0.1523(12) 0.4001(11) -0.0855(6) 0.059(5) Uani 1 1 d .
O24 O 0.353(4) 0.710(3) -0.0805(18) 0.063(16) Uiso 0.33 1 d P
Rb1 Rb 0.5914(2) 0.7608(4) -0.28619(13) 0.1112(17) Uani 1 1 d .
Rb2 Rb 0.9471(3) 0.4364(4) 0.08129(15) 0.1260(19) Uani 1 1 d .
Rb3 Rb 0.2526(6) 0.8390(6) 0.1148(3) 0.135(3) Uiso 0.67 1 d P
OW1 O 0.3743(11) 0.9445(11) 0.1422(6) 0.051(4) Uiso 1 1 d .
OW3 O 0.0117(12) 0.6606(13) 0.0914(7) 0.064(5) Uiso 1 1 d .
OW4 O 0.9991(17) 0.5960(17) 0.0824(9) 0.096(8) Uiso 1 1 d .
OW5 O 0.966(4) 0.305(3) 0.0954(18) 0.083(16) Uiso 0.50 1 d P
OW6 O 0.059(4) 0.288(4) 0.009(2) 0.099(18) Uiso 0.50 1 d P
OW7 O 0.445(3) 0.393(3) -0.1644(19) 0.087(15) Uiso 0.50 1 d P
OW8 O 0.693(5) 0.742(6) -0.241(3) 0.14(3) Uiso 0.50 1 d P
OW9 O 0.224(4) 0.929(4) 0.033(2) 0.12(2) Uiso 0.50 1 d P
Mn1 Mn 0.278(3) 0.766(3) -0.0816(15) 0.0478(12) Uani 0.33 1 d P
W7 W 0.2929(4) 0.7570(5) -0.0839(2) 0.0478(12) Uani 0.33 1 d P
W8 W 0.2749(4) 0.7779(4) -0.0827(2) 0.0357(12) Uani 0.33 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 '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'
Mn Mn 0.3368 0.7283 '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
O20 W1 O4 103.4(8) . .
O20 W1 O9 97.5(8) . .
O4 W1 O9 88.6(7) . .
O20 W1 O4 104.0(8) . 2_665
O4 W1 O4 87.2(10) . 2_665
O9 W1 O4 158.4(6) . 2_665
O20 W1 O5 97.7(8) . .
O4 W1 O5 158.9(6) . .
O9 W1 O5 88.1(7) . .
O4 W1 O5 88.3(7) 2_665 .
O20 W1 O1 167.2(8) . .
O4 W1 O1 86.0(5) . .
O9 W1 O1 73.8(6) . .
O4 W1 O1 84.8(5) 2_665 .
O5 W1 O1 73.1(6) . .
O20 W1 Rb3 81.2(7) . 2_665
O4 W1 Rb3 134.3(5) . 2_665
O9 W1 Rb3 136.5(5) . 2_665
O4 W1 Rb3 48.5(5) 2_665 2_665
O5 W1 Rb3 49.7(5) . 2_665
O1 W1 Rb3 98.6(3) . 2_665
O20 W1 Rb3 81.4(7) . .
O4 W1 Rb3 46.7(5) . .
O9 W1 Rb3 51.3(5) . .
O4 W1 Rb3 132.7(5) 2_665 .
O5 W1 Rb3 138.3(5) . .
O1 W1 Rb3 99.5(3) . .
Rb3 W1 Rb3 161.9(3) 2_665 .
O22 W2 O11 102.8(9) . .
O22 W2 O7 99.0(9) . .
O11 W2 O7 91.1(8) . .
O22 W2 O11 102.2(9) . 3_565
O11 W2 O11 85.7(11) . 3_565
O7 W2 O11 158.7(7) . 3_565
O22 W2 O17 97.1(9) . .
O11 W2 O17 160.0(6) . .
O7 W2 O17 87.1(8) . .
O11 W2 O17 88.8(8) 3_565 .
O22 W2 O2 168.2(9) . .
O11 W2 O2 86.1(6) . .
O7 W2 O2 72.8(7) . .
O11 W2 O2 85.9(6) 3_565 .
O17 W2 O2 74.3(6) . .
O22 W2 Rb1 77.3(7) . 3_565
O11 W2 Rb1 134.2(6) . 3_565
O7 W2 Rb1 134.5(6) . 3_565
O11 W2 Rb1 50.8(5) 3_565 3_565
O17 W2 Rb1 49.5(5) . 3_565
O2 W2 Rb1 102.1(4) . 3_565
O22 W2 Rb1 81.0(7) . .
O11 W2 Rb1 45.9(5) . .
O7 W2 Rb1 55.4(6) . .
O11 W2 Rb1 129.9(6) 3_565 .
O17 W2 Rb1 141.1(5) . .
O2 W2 Rb1 100.4(4) . .
Rb1 W2 Rb1 157.42(12) 3_565 .
O16 W3 O10 103.0(10) . .
O16 W3 O3 102.2(8) . .
O10 W3 O3 87.4(7) . .
O16 W3 O14 100.3(8) . .
O10 W3 O14 89.6(8) . .
O3 W3 O14 157.4(7) . .
O16 W3 O9 97.1(9) . .
O10 W3 O9 160.0(8) . .
O3 W3 O9 87.9(7) . .
O14 W3 O9 87.3(7) . .
O16 W3 O1 167.8(8) . .
O10 W3 O1 87.2(7) . .
O3 W3 O1 84.8(6) . .
O14 W3 O1 72.7(6) . .
O9 W3 O1 73.0(6) . .
O16 W3 Rb2 84.1(7) . 10_665
O10 W3 Rb2 53.8(6) . 10_665
O3 W3 Rb2 140.8(4) . 10_665
O14 W3 Rb2 44.2(5) . 10_665
O9 W3 Rb2 130.1(5) . 10_665
O1 W3 Rb2 96.9(3) . 10_665
O16 W3 Rb3 83.1(8) . .
O10 W3 Rb3 135.5(6) . .
O3 W3 Rb3 48.7(5) . .
O14 W3 Rb3 133.3(6) . .
O9 W3 Rb3 46.3(5) . .
O1 W3 Rb3 94.5(4) . .
Rb2 W3 Rb3 165.89(16) 10_665 .
O16 W3 Rb1 29.3(7) . 17_454
O10 W3 Rb1 76.2(6) . 17_454
O3 W3 Rb1 89.3(5) . 17_454
O14 W3 Rb1 111.7(5) . 17_454
O9 W3 Rb1 123.3(5) . 17_454
O1 W3 Rb1 162.5(3) . 17_454
Rb2 W3 Rb1 77.55(12) 10_665 17_454
Rb3 W3 Rb1 93.91(16) . 17_454
O18 W4 O13 103.6(9) . .
O18 W4 O8 101.7(8) . .
O13 W4 O8 87.1(7) . .
O18 W4 O7 98.6(9) . .
O13 W4 O7 157.8(8) . .
O8 W4 O7 87.8(7) . .
O18 W4 O19 98.6(8) . .
O13 W4 O19 90.8(8) . .
O8 W4 O19 159.5(7) . .
O7 W4 O19 86.4(8) . .
O18 W4 O2 169.0(7) . .
O13 W4 O2 85.3(7) . .
O8 W4 O2 84.8(6) . .
O7 W4 O2 72.7(6) . .
O19 W4 O2 74.7(6) . .
O18 W4 Rb2 77.2(7) . 11_565
O13 W4 Rb2 53.2(6) . 11_565
O8 W4 Rb2 137.4(4) . 11_565
O7 W4 Rb2 134.7(6) . 11_565
O19 W4 Rb2 50.8(6) . 11_565
O2 W4 Rb2 104.0(4) . 11_565
O18 W4 Rb3 36.8(7) . 7_544
O13 W4 Rb3 131.3(7) . 7_544
O8 W4 Rb3 120.5(4) . 7_544
O7 W4 Rb3 69.1(6) . 7_544
O19 W4 Rb3 75.5(5) . 7_544
O2 W4 Rb3 132.3(4) . 7_544
Rb2 W4 Rb3 84.24(17) 11_565 7_544
O6 W5 O15 103.3(9) . .
O6 W5 O3 102.2(8) . 2_665
O15 W5 O3 86.4(7) . 2_665
O6 W5 O14 99.5(7) . .
O15 W5 O14 89.8(8) . .
O3 W5 O14 158.3(7) 2_665 .
O6 W5 O5 95.4(9) . .
O15 W5 O5 161.2(8) . .
O3 W5 O5 89.2(6) 2_665 .
O14 W5 O5 87.5(7) . .
O6 W5 O1 167.8(8) . .
O15 W5 O1 87.0(7) . .
O3 W5 O1 84.7(6) 2_665 .
O14 W5 O1 73.7(6) . .
O5 W5 O1 74.4(6) . .
O6 W5 Rb2 80.5(6) . 10_665
O15 W5 Rb2 52.9(6) . 10_665
O3 W5 Rb2 138.0(5) 2_665 10_665
O14 W5 Rb2 47.8(5) . 10_665
O5 W5 Rb2 132.6(5) . 10_665
O1 W5 Rb2 101.3(3) . 10_665
O6 W5 Rb2 48.6(7) . 1_455
O15 W5 Rb2 143.4(6) . 1_455
O3 W5 Rb2 118.7(5) 2_665 1_455
O14 W5 Rb2 75.6(5) . 1_455
O5 W5 Rb2 53.1(5) . 1_455
O1 W5 Rb2 119.3(3) . 1_455
Rb2 W5 Rb2 94.76(10) 10_665 1_455
O6 W5 Rb3 81.8(6) . 2_665
O15 W5 Rb3 136.8(6) . 2_665
O3 W5 Rb3 51.1(5) 2_665 2_665
O14 W5 Rb3 132.2(6) . 2_665
O5 W5 Rb3 45.3(5) . 2_665
O1 W5 Rb3 95.1(4) . 2_665
Rb2 W5 Rb3 161.79(17) 10_665 2_665
Rb2 W5 Rb3 70.07(16) 1_455 2_665
O21 W6 O12 102.7(9) . .
O21 W6 O8 103.1(8) . 3_565
O12 W6 O8 87.9(7) . 3_565
O21 W6 O19 97.9(9) . .
O12 W6 O19 88.0(8) . .
O8 W6 O19 159.0(7) 3_565 .
O21 W6 O17 96.5(9) . .
O12 W6 O17 160.7(8) . .
O8 W6 O17 90.0(7) 3_565 .
O19 W6 O17 87.2(8) . .
O21 W6 O2 167.1(7) . .
O12 W6 O2 87.0(7) . .
O8 W6 O2 85.6(6) 3_565 .
O19 W6 O2 73.7(7) . .
O17 W6 O2 73.7(6) . .
O21 W6 Rb1 81.9(7) . 3_565
O12 W6 Rb1 141.2(6) . 3_565
O8 W6 Rb1 54.0(4) 3_565 3_565
O19 W6 Rb1 130.0(6) . 3_565
O17 W6 Rb1 43.8(5) . 3_565
O2 W6 Rb1 95.9(4) . 3_565
O21 W6 Rb2 84.4(7) . 11_565
O12 W6 Rb2 51.9(6) . 11_565
O8 W6 Rb2 139.5(4) 3_565 11_565
O19 W6 Rb2 42.9(6) . 11_565
O17 W6 Rb2 129.2(5) . 11_565
O2 W6 Rb2 95.3(4) . 11_565
Rb1 W6 Rb2 163.22(11) 3_565 11_565
O2 As1 O2 98.1(6) 3_565 2_665
O2 As1 O2 98.1(6) 3_565 .
O2 As1 O2 98.1(6) 2_665 .
O1 As2 O1 99.1(6) 2_665 .
O1 As2 O1 99.1(6) 2_665 3_565
O1 As2 O1 99.1(6) . 3_565
As2 O1 W5 119.5(7) . .
As2 O1 W3 117.8(6) . .
W5 O1 W3 92.8(5) . .
As2 O1 W1 132.1(7) . .
W5 O1 W1 93.0(5) . .
W3 O1 W1 92.2(5) . .
As1 O2 W4 118.8(8) . .
As1 O2 W2 133.8(8) . .
W4 O2 W2 92.7(5) . .
As1 O2 W6 117.8(7) . .
W4 O2 W6 91.9(5) . .
W2 O2 W6 91.7(5) . .
W5 O3 W3 151.8(9) 3_565 .
W5 O3 Rb3 101.8(6) 3_565 .
W3 O3 Rb3 105.0(6) . .
W1 O4 W1 150.4(9) . 3_565
W1 O4 Rb3 106.1(7) . .
W1 O4 Rb3 102.7(7) 3_565 .
W5 O5 W1 119.6(8) . .
W5 O5 Rb3 107.7(6) . 2_665
W1 O5 Rb3 101.0(6) . 2_665
W5 O5 Rb2 98.5(6) . 1_455
W1 O5 Rb2 130.7(7) . 1_455
Rb3 O5 Rb2 95.2(5) 2_665 1_455
W5 O6 Rb2 107.4(8) . 1_455
W2 O7 W4 121.8(9) . .
W2 O7 Rb1 97.1(7) . .
W4 O7 Rb1 108.0(8) . .
W6 O8 W4 150.0(8) 2_665 .
W6 O8 Rb1 99.1(5) 2_665 .
W4 O8 Rb1 108.9(6) . .
W1 O9 W3 121.0(8) . .
W1 O9 Rb3 100.5(7) . .
W3 O9 Rb3 106.7(7) . .
Mn1 O10 W3 148(2) . .
Mn1 O10 W8 8.3(18) . .
W3 O10 W8 143.9(10) . .
Mn1 O10 W7 11.3(18) . .
W3 O10 W7 150.5(10) . .
W8 O10 W7 19.5(2) . .
Mn1 O10 Rb2 110.6(19) . 10_665
W3 O10 Rb2 98.9(7) . 10_665
W8 O10 Rb2 111.2(7) . 10_665
W7 O10 Rb2 110.5(7) . 10_665
W2 O11 W2 150.5(10) . 2_665
W2 O11 Rb1 108.1(7) . .
W2 O11 Rb1 100.2(6) 2_665 .
W6 O12 Mn1 151.2(19) . 2_665
W6 O12 W8 145.4(10) . 2_665
Mn1 O12 W8 8.5(18) 2_665 2_665
W6 O12 W7 149.9(11) . 2_665
Mn1 O12 W7 12.1(16) 2_665 2_665
W8 O12 W7 19.8(2) 2_665 2_665
W6 O12 Rb2 102.4(8) . 11_565
Mn1 O12 Rb2 104.8(17) 2_665 11_565
W8 O12 Rb2 107.2(8) 2_665 11_565
W7 O12 Rb2 107.6(7) 2_665 11_565
W4 O13 W7 154.6(11) . 3_565
W4 O13 W8 143.1(11) . 3_565
W7 O13 W8 19.3(2) 3_565 3_565
W4 O13 Mn1 148.2(19) . 3_565
W7 O13 Mn1 11.3(16) 3_565 3_565
W8 O13 Mn1 8.0(16) 3_565 3_565
W4 O13 Rb2 99.1(8) . 11_565
W7 O13 Rb2 105.1(8) 3_565 11_565
W8 O13 Rb2 105.5(8) 3_565 11_565
Mn1 O13 Rb2 106.2(17) 3_565 11_565
W5 O14 W3 120.8(8) . .
W5 O14 Rb2 103.4(7) . 10_665
W3 O14 Rb2 108.8(7) . 10_665
W5 O15 W7 154.8(10) . 2_665
W5 O15 Mn1 147.2(18) . 2_665
W7 O15 Mn1 12.4(16) 2_665 2_665
W5 O15 W8 144.4(10) . 2_665
W7 O15 W8 20.0(2) 2_665 2_665
Mn1 O15 W8 8.4(17) 2_665 2_665
W5 O15 Rb2 98.7(8) . 10_665
W7 O15 Rb2 106.5(7) 2_665 10_665
Mn1 O15 Rb2 111.3(16) 2_665 10_665
W8 O15 Rb2 109.4(7) 2_665 10_665
W3 O16 Rb1 133.9(11) . 17_454
W6 O17 W2 120.4(8) . .
W6 O17 Rb1 109.9(7) . 3_565
W2 O17 Rb1 101.4(7) . 3_565
W4 O18 Rb3 122.6(9) . 7_544
W6 O19 W4 119.7(9) . .
W6 O19 Rb2 111.8(8) . 11_565
W4 O19 Rb2 99.9(7) . 11_565
W1 O20 Rb3 173.7(11) . 15
W2 O22 Rb1 170.2(12) . 14_454
W8 O23 Mn1 0.9(17) 2_665 2_665
W8 O23 W7 3.7(3) 2_665 2_665
Mn1 O23 W7 4.6(16) 2_665 2_665
W8 O23 Rb1 126.3(10) 2_665 18_544
Mn1 O23 Rb1 125.4(17) 2_665 18_544
W7 O23 Rb1 130.0(8) 2_665 18_544
O24 O24 O24 59.998(15) 2_665 3_565
O24 O24 W7 89(6) 2_665 .
O24 O24 W7 148(6) 3_565 .
O24 O24 W7 116(5) 2_665 3_565
O24 O24 W7 56(5) 3_565 3_565
W7 O24 W7 155(3) . 3_565
O24 O24 Mn1 88(6) 2_665 .
O24 O24 Mn1 148(6) 3_565 .
W7 O24 Mn1 2.6(15) . .
W7 O24 Mn1 156(3) 3_565 .
OW8 Rb1 O22 148(2) . 15_554
OW8 Rb1 OW5 14(2) . 9_664
O22 Rb1 OW5 138.6(13) 15_554 9_664
OW8 Rb1 O16 74(2) . 18_654
O22 Rb1 O16 84.8(6) 15_554 18_654
OW5 Rb1 O16 78.3(12) 9_664 18_654
OW8 Rb1 O17 112(2) . 2_665
O22 Rb1 O17 98.5(6) 15_554 2_665
OW5 Rb1 O17 115.3(12) 9_664 2_665
O16 Rb1 O17 149.0(5) 18_654 2_665
OW8 Rb1 OW9 73(2) . 7_544
O22 Rb1 OW9 78.7(15) 15_554 7_544
OW5 Rb1 OW9 60.7(19) 9_664 7_544
O16 Rb1 OW9 76.0(15) 18_654 7_544
O17 Rb1 OW9 135.0(15) 2_665 7_544
OW8 Rb1 OW6 129(2) . 17_554
O22 Rb1 OW6 64.7(13) 15_554 17_554
OW5 Rb1 OW6 141.6(17) 9_664 17_554
O16 Rb1 OW6 74.3(13) 18_654 17_554
O17 Rb1 OW6 79.2(13) 2_665 17_554
OW9 Rb1 OW6 134.2(16) 7_544 17_554
OW8 Rb1 O11 127(2) . .
O22 Rb1 O11 65.2(5) 15_554 .
OW5 Rb1 O11 117.2(12) 9_664 .
O16 Rb1 O11 148.2(5) 18_654 .
O17 Rb1 O11 52.5(4) 2_665 .
OW9 Rb1 O11 87.7(15) 7_544 .
OW6 Rb1 O11 99.9(13) 17_554 .
OW8 Rb1 OW6 83(2) . 9_554
O22 Rb1 OW6 67.1(13) 15_554 9_554
OW5 Rb1 OW6 71.5(17) 9_664 9_554
O16 Rb1 OW6 66.2(13) 18_654 9_554
O17 Rb1 OW6 143.3(13) 2_665 9_554
OW9 Rb1 OW6 15.2(16) 7_544 9_554
OW6 Rb1 OW6 119.0(6) 17_554 9_554
O11 Rb1 OW6 91.5(12) . 9_554
OW8 Rb1 O23 63(2) . 17_554
O22 Rb1 O23 137.3(6) 15_554 17_554
OW5 Rb1 O23 77.0(13) 9_664 17_554
O16 Rb1 O23 81.3(5) 18_654 17_554
O17 Rb1 O23 75.5(5) 2_665 17_554
OW9 Rb1 O23 135.0(15) 7_544 17_554
OW6 Rb1 O23 72.7(13) 17_554 17_554
O11 Rb1 O23 127.7(5) . 17_554
OW6 Rb1 O23 138.3(13) 9_554 17_554
OW8 Rb1 O8 73.9(19) . .
O22 Rb1 O8 123.8(5) 15_554 .
OW5 Rb1 O8 70.6(12) 9_664 .
O16 Rb1 O8 148.1(5) 18_654 .
O17 Rb1 O8 49.5(4) 2_665 .
OW9 Rb1 O8 94.6(16) 7_544 .
OW6 Rb1 O8 128.0(13) 17_554 .
O11 Rb1 O8 58.8(4) . .
OW6 Rb1 O8 109.1(13) 9_554 .
O23 Rb1 O8 84.8(4) 17_554 .
OW8 Rb1 O7 82(2) . .
O22 Rb1 O7 92.5(6) 15_554 .
OW5 Rb1 O7 69.7(13) 9_664 .
O16 Rb1 O7 127.5(5) 18_654 .
O17 Rb1 O7 83.4(4) 2_665 .
OW9 Rb1 O7 52.3(15) 7_544 .
OW6 Rb1 O7 148.6(13) 17_554 .
O11 Rb1 O7 49.1(4) . .
OW6 Rb1 O7 64.6(13) 9_554 .
O23 Rb1 O7 127.6(5) 17_554 .
O8 Rb1 O7 46.7(4) . .
OW4 Rb2 OW8 167(2) . 5_655
OW4 Rb2 OW5 152.9(15) . .
OW8 Rb2 OW5 14.5(19) 5_655 .
OW4 Rb2 O14 96.4(7) . 10_665
OW8 Rb2 O14 94.5(19) 5_655 10_665
OW5 Rb2 O14 100.9(13) . 10_665
OW4 Rb2 OW1 100.1(7) . 2_765
OW8 Rb2 OW1 66.6(19) 5_655 2_765
OW5 Rb2 OW1 54.8(13) . 2_765
O14 Rb2 OW1 145.9(5) 10_665 2_765
OW4 Rb2 O19 96.9(7) . 12_655
OW8 Rb2 O19 78.4(18) 5_655 12_655
OW5 Rb2 O19 80.9(12) . 12_655
O14 Rb2 O19 144.3(5) 10_665 12_655
OW1 Rb2 O19 62.4(5) 2_765 12_655
OW4 Rb2 O15 70.0(7) . 10_665
OW8 Rb2 O15 123.1(19) 5_655 10_665
OW5 Rb2 O15 137.0(14) . 10_665
O14 Rb2 O15 52.1(5) 10_665 10_665
OW1 Rb2 O15 161.9(5) 2_765 10_665
O19 Rb2 O15 102.8(5) 12_655 10_665
OW4 Rb2 O6 99.5(7) . 1_655
OW8 Rb2 O6 79.7(19) 5_655 1_655
OW5 Rb2 O6 72.7(12) . 1_655
O14 Rb2 O6 58.6(5) 10_665 1_655
OW1 Rb2 O6 89.2(5) 2_765 1_655
O19 Rb2 O6 149.3(5) 12_655 1_655
O15 Rb2 O6 107.1(5) 10_665 1_655
OW4 Rb2 O13 71.7(7) . 12_655
OW8 Rb2 O13 113.2(19) 5_655 12_655
OW5 Rb2 O13 123.3(13) . 12_655
O14 Rb2 O13 103.1(5) 10_665 12_655
OW1 Rb2 O13 110.3(5) 2_765 12_655
O19 Rb2 O13 51.1(5) 12_655 12_655
O15 Rb2 O13 52.7(5) 10_665 12_655
O6 Rb2 O13 159.5(5) 1_655 12_655
OW4 Rb2 O5 71.0(7) . 1_655
OW8 Rb2 O5 99.1(19) 5_655 1_655
OW5 Rb2 O5 85.0(13) . 1_655
O14 Rb2 O5 102.2(4) 10_665 1_655
OW1 Rb2 O5 56.7(5) 2_765 1_655
O19 Rb2 O5 113.5(5) 12_655 1_655
O15 Rb2 O5 129.0(5) 10_665 1_655
O6 Rb2 O5 49.8(4) 1_655 1_655
O13 Rb2 O5 136.7(5) 12_655 1_655
OW4 Rb2 O10 130.0(7) . 10_665
OW8 Rb2 O10 63.4(19) 5_655 10_665
OW5 Rb2 O10 76.9(13) . 10_665
O14 Rb2 O10 50.3(5) 10_665 10_665
OW1 Rb2 O10 128.7(5) 2_765 10_665
O19 Rb2 O10 96.7(5) 12_655 10_665
O15 Rb2 O10 60.0(5) 10_665 10_665
O6 Rb2 O10 92.3(5) 1_655 10_665
O13 Rb2 O10 80.5(5) 12_655 10_665
O5 Rb2 O10 141.7(5) 1_655 10_665
OW4 Rb2 O12 129.1(7) . 12_655
OW8 Rb2 O12 56.1(19) 5_655 12_655
OW5 Rb2 O12 68.3(13) . 12_655
O14 Rb2 O12 99.1(5) 10_665 12_655
OW1 Rb2 O12 93.2(5) 2_765 12_655
O19 Rb2 O12 48.0(5) 12_655 12_655
O15 Rb2 O12 82.5(5) 10_665 12_655
O6 Rb2 O12 129.7(5) 1_655 12_655
O13 Rb2 O12 57.7(5) 12_655 12_655
O5 Rb2 O12 148.5(5) 1_655 12_655
O10 Rb2 O12 49.2(5) 10_665 12_655
OW1 Rb3 O18 68.7(6) . 4_455
OW1 Rb3 O20 75.1(7) . 14_455
O18 Rb3 O20 91.2(6) 4_455 14_455
OW1 Rb3 O4 98.2(6) . .
O18 Rb3 O4 156.1(6) 4_455 .
O20 Rb3 O4 65.6(5) 14_455 .
OW1 Rb3 O5 65.0(6) . 3_565
O18 Rb3 O5 129.1(6) 4_455 3_565
O20 Rb3 O5 96.4(6) 14_455 3_565
O4 Rb3 O5 53.1(5) . 3_565
OW1 Rb3 OW7 11.9(12) . 11_565
O18 Rb3 OW7 68.1(11) 4_455 11_565
O20 Rb3 OW7 63.5(12) 14_455 11_565
O4 Rb3 OW7 94.8(11) . 11_565
O5 Rb3 OW7 70.9(11) 3_565 11_565
OW1 Rb3 O9 148.4(7) . .
O18 Rb3 O9 142.3(6) 4_455 .
O20 Rb3 O9 94.4(6) 14_455 .
O4 Rb3 O9 51.0(5) . .
O5 Rb3 O9 87.2(5) 3_565 .
OW7 Rb3 O9 145.7(12) 11_565 .
OW1 Rb3 OW7 123.9(12) . 4_455
O18 Rb3 OW7 79.0(11) 4_455 4_455
O20 Rb3 OW7 60.7(11) 14_455 4_455
O4 Rb3 OW7 93.5(11) . 4_455
O5 Rb3 OW7 146.3(11) 3_565 4_455
OW7 Rb3 OW7 113.0(7) 11_565 4_455
O9 Rb3 OW7 71.7(11) . 4_455
OW1 Rb3 O3 112.7(6) . .
O18 Rb3 O3 142.8(6) 4_455 .
O20 Rb3 O3 125.7(6) 14_455 .
O4 Rb3 O3 60.1(4) . .
O5 Rb3 O3 50.8(4) 3_565 .
OW7 Rb3 O3 120.8(12) 11_565 .
O9 Rb3 O3 49.9(4) . .
OW7 Rb3 O3 120.6(11) 4_455 .
OW1 Rb3 OW5 51.3(11) . 3_675
O18 Rb3 OW5 54.7(11) 4_455 3_675
O20 Rb3 OW5 122.7(11) 14_455 3_675
O4 Rb3 OW5 132.6(11) . 3_675
O5 Rb3 OW5 79.8(10) 3_565 3_675
OW7 Rb3 OW5 61.4(15) 11_565 3_675
O9 Rb3 OW5 141.6(11) . 3_675
OW7 Rb3 OW5 132.7(14) 4_455 3_675
O3 Rb3 OW5 95.7(10) . 3_675
OW1 Rb3 OW9 101.0(14) . .
O18 Rb3 OW9 82.9(14) 4_455 .
O20 Rb3 OW9 173.8(14) 14_455 .
O4 Rb3 OW9 120.1(13) . .
O5 Rb3 OW9 86.0(13) 3_565 .
OW7 Rb3 OW9 112.3(17) 11_565 .
O9 Rb3 OW9 91.4(13) . .
OW7 Rb3 OW9 119.5(17) 4_455 .
O3 Rb3 OW9 60.1(13) . .
OW5 Rb3 OW9 52.0(16) 3_675 .
OW1 Rb3 W1 72.0(5) . 3_565
O18 Rb3 W1 139.8(5) 4_455 3_565
O20 Rb3 W1 70.5(4) 14_455 3_565
O4 Rb3 W1 28.7(3) . 3_565
O5 Rb3 W1 29.3(3) 3_565 3_565
OW7 Rb3 W1 71.6(11) 11_565 3_565
O9 Rb3 W1 76.4(4) . 3_565
OW7 Rb3 W1 117.7(11) 4_455 3_565
O3 Rb3 W1 62.9(3) . 3_565
OW5 Rb3 W1 105.1(10) 3_675 3_565
OW9 Rb3 W1 113.2(13) . 3_565
OW7 OW1 Rb3 129(5) 11_565 .
OW7 OW1 Rb2 112(5) 11_565 3_675
Rb3 OW1 Rb2 116.6(8) . 3_675
OW3 OW4 Rb2 165(2) 1_655 .
OW8 OW5 Rb2 82(10) 5_655 .
OW8 OW5 Rb1 65(10) 5_655 5_655
Rb2 OW5 Rb1 128(2) . 5_655
OW8 OW5 Rb3 175(10) 5_655 2_765
Rb2 OW5 Rb3 94.5(17) . 2_765
Rb1 OW5 Rb3 120.0(19) 5_655 2_765
OW9 OW6 Rb1 116(9) 2_665 18_544
OW9 OW6 Rb1 80(8) 2_665 5
Rb1 OW6 Rb1 126(2) 18_544 5
OW1 OW7 Rb3 39(4) 12_655 12_655
OW1 OW7 Rb3 147(5) 12_655 7_544
Rb3 OW7 Rb3 131(2) 12_655 7_544
OW1 OW7 Rb2 55(4) 12_655 11_565
Rb3 OW7 Rb2 92.8(16) 12_655 11_565
Rb3 OW7 Rb2 109.3(16) 7_544 11_565
OW5 OW8 Rb1 101(10) 9_664 .
OW5 OW8 Rb2 83(10) 9_664 9_664
Rb1 OW8 Rb2 139(3) . 9_664
OW6 OW9 Rb1 84(8) 3_565 4_455
OW6 OW9 Rb3 152(9) 3_565 .
Rb1 OW9 Rb3 116(2) 4_455 .
OW6 OW9 Rb1 52(8) 3_565 17_454
Rb1 OW9 Rb1 113(2) 4_455 17_454
Rb3 OW9 Rb1 126(2) . 17_454
O10 Mn1 O12 95(3) . 3_565
O10 Mn1 O15 90(2) . 3_565
O12 Mn1 O15 174(3) 3_565 3_565
O10 Mn1 O23 98(2) . 3_565
O12 Mn1 O23 91(2) 3_565 3_565
O15 Mn1 O23 92(2) 3_565 3_565
O10 Mn1 O13 172(3) . 2_665
O12 Mn1 O13 85(2) 3_565 2_665
O15 Mn1 O13 89(2) 3_565 2_665
O23 Mn1 O13 90(2) 3_565 2_665
O10 Mn1 O24 98(3) . .
O12 Mn1 O24 100(3) 3_565 .
O15 Mn1 O24 76(3) 3_565 .
O23 Mn1 O24 160(3) 3_565 .
O13 Mn1 O24 75(2) 2_665 .
O10 Mn1 Rb2 134(2) . 12
O12 Mn1 Rb2 131(2) 3_565 12
O15 Mn1 Rb2 43.6(13) 3_565 12
O23 Mn1 Rb2 87.1(18) 3_565 12
O13 Mn1 Rb2 46.1(13) 2_665 12
O24 Mn1 Rb2 73(2) . 12
O10 Mn1 Rb2 45.7(15) . 10_665
O12 Mn1 Rb2 49.7(14) 3_565 10_665
O15 Mn1 Rb2 136(2) 3_565 10_665
O23 Mn1 Rb2 100(2) 3_565 10_665
O13 Mn1 Rb2 133(2) 2_665 10_665
O24 Mn1 Rb2 100(2) . 10_665
Rb2 Mn1 Rb2 173.3(14) 12 10_665
W8 W7 O24 171(2) . .
W8 W7 O13 91.9(10) . 2_665
O24 W7 O13 88(2) . 2_665
W8 W7 O15 83.9(8) . 3_565
O24 W7 O15 87(2) . 3_565
O13 W7 O15 94.5(9) 2_665 3_565
W8 W7 O12 76.0(8) . 3_565
O24 W7 O12 113.2(19) . 3_565
O13 W7 O12 86.7(8) 2_665 3_565
O15 W7 O12 160.0(9) 3_565 3_565
W8 W7 O10 73.1(9) . .
O24 W7 O10 107(2) . .
O13 W7 O10 164.9(9) 2_665 .
O15 W7 O10 85.9(7) 3_565 .
O12 W7 O10 87.8(8) 3_565 .
W8 W7 O24 150.6(17) . 2_665
O24 W7 O24 35(3) . 2_665
O13 W7 O24 111.7(17) 2_665 2_665
O15 W7 O24 110.2(16) 3_565 2_665
O12 W7 O24 87.7(16) 3_565 2_665
O10 W7 O24 82.1(16) . 2_665
W8 W7 O23 9.6(8) . 3_565
O24 W7 O23 165(2) . 3_565
O13 W7 O23 82.8(8) 2_665 3_565
O15 W7 O23 81.5(8) 3_565 3_565
O12 W7 O23 78.8(8) 3_565 3_565
O10 W7 O23 82.3(8) . 3_565
O24 W7 O23 159.7(16) 2_665 3_565
W8 W7 Rb2 94.2(7) . 12
O24 W7 Rb2 79.2(19) . 12
O13 W7 Rb2 48.3(6) 2_665 12
O15 W7 Rb2 47.0(5) 3_565 12
O12 W7 Rb2 134.1(6) 3_565 12
O10 W7 Rb2 132.7(6) . 12
O24 W7 Rb2 114.4(15) 2_665 12
O23 W7 Rb2 85.8(6) 3_565 12
W7 W8 O23 166.7(12) . 3_565
W7 W8 O10 87.3(9) . .
O23 W8 O10 105.4(10) 3_565 .
W7 W8 O12 84.2(9) . 3_565
O23 W8 O12 99.2(9) 3_565 3_565
O10 W8 O12 91.7(8) . 3_565
W7 W8 O15 76.0(8) . 3_565
O23 W8 O15 100.2(10) 3_565 3_565
O10 W8 O15 87.0(8) . 3_565
O12 W8 O15 160.2(10) 3_565 3_565
W7 W8 O13 68.8(10) . 2_665
O23 W8 O13 98.6(10) 3_565 2_665
O10 W8 O13 156.1(9) . 2_665
O12 W8 O13 84.3(9) 3_565 2_665
O15 W8 O13 88.9(8) 3_565 2_665
W7 W8 Rb2 76.6(7) . 12
O23 W8 Rb2 91.7(8) 3_565 12
O10 W8 Rb2 131.2(6) . 12
O12 W8 Rb2 130.9(7) 3_565 12
O15 W8 Rb2 44.6(5) 3_565 12
O13 W8 Rb2 46.7(6) 2_665 12
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O20 1.686(16) .
W1 O4 1.884(16) .
W1 O9 1.907(17) .
W1 O4 1.924(16) 2_665
W1 O5 1.948(16) .
W1 O1 2.346(13) .
W1 Rb3 3.905(10) 2_665
W1 Rb3 3.959(10) .
W2 O22 1.671(17) .
W2 O11 1.884(16) .
W2 O7 1.901(19) .
W2 O11 1.930(17) 3_565
W2 O17 1.945(18) .
W2 O2 2.334(13) .
W2 Rb1 3.918(5) 3_565
W2 Rb1 4.083(5) .
W3 O16 1.721(17) .
W3 O10 1.866(18) .
W3 O3 1.909(15) .
W3 O14 1.927(16) .
W3 O9 1.967(16) .
W3 O1 2.335(14) .
W3 Rb2 4.020(6) 10_665
W3 Rb3 4.157(10) .
W3 Rb1 4.299(4) 17_454
W4 O18 1.685(18) .
W4 O13 1.84(2) .
W4 O8 1.919(15) .
W4 O7 1.945(18) .
W4 O19 1.95(2) .
W4 O2 2.309(17) .
W4 Rb2 3.923(5) 11_565
W4 Rb3 4.030(10) 7_544
W5 O6 1.730(18) .
W5 O15 1.874(18) .
W5 O3 1.894(15) 2_665
W5 O14 1.926(16) .
W5 O5 1.944(16) .
W5 O1 2.291(13) .
W5 Rb2 3.889(5) 10_665
W5 Rb2 4.049(6) 1_455
W5 Rb3 4.068(10) 2_665
W6 O21 1.710(18) .
W6 O12 1.871(19) .
W6 O8 1.890(14) 3_565
W6 O19 1.935(17) .
W6 O17 1.940(16) .
W6 O2 2.364(15) .
W6 Rb1 4.125(4) 3_565
W6 Rb2 4.205(6) 11_565
As1 O2 1.774(14) 3_565
As1 O2 1.774(14) 2_665
As1 O2 1.774(14) .
As2 O1 1.791(14) 2_665
As2 O1 1.791(13) .
As2 O1 1.791(14) 3_565
O3 W5 1.894(15) 3_565
O3 Rb3 3.233(18) .
O4 W1 1.924(16) 3_565
O4 Rb3 3.000(19) .
O5 Rb3 3.032(18) 2_665
O5 Rb2 3.275(17) 1_455
O6 Rb2 3.18(2) 1_455
O7 Rb1 3.38(2) .
O8 W6 1.890(14) 2_665
O8 Rb1 3.381(15) .
O9 Rb3 3.14(2) .
O10 Mn1 1.84(5) .
O10 W8 1.93(2) .
O10 W7 2.02(2) .
O10 Rb2 3.283(19) 10_665
O11 W2 1.930(17) 2_665
O11 Rb1 3.085(18) .
O12 Mn1 1.91(6) 2_665
O12 W8 1.94(2) 2_665
O12 W7 1.99(2) 2_665
O12 Rb2 3.39(2) 11_565
O13 W7 1.91(2) 3_565
O13 W8 2.04(2) 3_565
O13 Mn1 2.05(5) 3_565
O13 Rb2 3.18(2) 11_565
O14 Rb2 2.961(18) 10_665
O15 W7 1.91(2) 2_665
O15 Mn1 1.93(6) 2_665
O15 W8 1.96(2) 2_665
O15 Rb2 3.137(18) 10_665
O16 Rb1 2.923(19) 17_454
O17 Rb1 3.038(18) 3_565
O18 Rb3 2.86(2) 7_544
O19 Rb2 3.08(2) 11_565
O20 Rb3 2.980(19) 15
O22 Rb1 2.900(18) 14_454
O23 W8 1.74(2) 2_665
O23 Mn1 2.02(6) 2_665
O23 W7 2.40(2) 2_665
O23 Rb1 3.22(2) 18_544
O24 O24 1.30(10) 2_665
O24 O24 1.30(10) 3_565
O24 W7 1.87(6) .
O24 W7 2.25(7) 3_565
O24 Mn1 2.28(8) .
Rb1 OW8 2.69(9) .
Rb1 O22 2.900(18) 15_554
Rb1 OW5 2.92(6) 9_664
Rb1 O16 2.923(19) 18_654
Rb1 O17 3.038(18) 2_665
Rb1 OW9 3.06(8) 7_544
Rb1 OW6 3.06(6) 17_554
Rb1 OW6 3.09(6) 9_554
Rb1 O23 3.22(2) 17_554
Rb2 OW4 2.82(3) .
Rb2 OW8 2.87(9) 5_655
Rb2 OW5 2.88(6) .
Rb2 O14 2.961(18) 10_665
Rb2 OW1 3.00(2) 2_765
Rb2 O19 3.08(2) 12_655
Rb2 O15 3.137(18) 10_665
Rb2 O6 3.18(2) 1_655
Rb2 O13 3.18(2) 12_655
Rb2 O5 3.275(17) 1_655
Rb2 O10 3.283(19) 10_665
Rb2 O12 3.39(2) 12_655
Rb3 OW1 2.46(2) .
Rb3 O18 2.86(2) 4_455
Rb3 O20 2.980(19) 14_455
Rb3 O5 3.032(18) 3_565
Rb3 OW7 3.04(6) 11_565
Rb3 OW7 3.14(6) 4_455
Rb3 OW5 3.45(7) 3_675
Rb3 OW9 3.45(8) .
Rb3 W1 3.904(10) 3_565
OW1 OW7 0.81(6) 11_565
OW1 Rb2 3.00(2) 3_675
OW3 OW4 1.22(3) 1_455
OW4 OW3 1.22(3) 1_655
OW5 OW8 0.73(9) 5_655
OW5 Rb1 2.92(6) 5_655
OW5 Rb3 3.45(7) 2_765
OW6 OW9 0.82(9) 2_665
OW6 Rb1 3.06(6) 18_544
OW6 Rb1 3.09(6) 5
OW7 OW1 0.81(6) 12_655
OW7 Rb3 3.04(6) 12_655
OW7 Rb3 3.15(6) 7_544
OW7 Rb2 3.39(6) 11_565
OW8 OW5 0.73(9) 9_664
OW8 Rb2 2.87(9) 9_664
OW9 OW6 0.82(9) 3_565
OW9 Rb1 3.06(8) 4_455
OW9 Rb1 3.50(8) 17_454
Mn1 O12 1.91(6) 3_565
Mn1 O15 1.93(6) 3_565
Mn1 O23 2.02(6) 3_565
Mn1 O13 2.05(5) 2_665
Mn1 Rb2 4.24(6) 12
Mn1 Rb2 4.29(6) 10_665
W7 W8 0.675(4) .
W7 O13 1.91(2) 2_665
W7 O15 1.91(2) 3_565
W7 O12 1.99(2) 3_565
W7 O24 2.25(7) 2_665
W7 O23 2.40(2) 3_565
W7 Rb2 4.113(10) 12
W8 O23 1.74(2) 3_565
W8 O12 1.94(2) 3_565
W8 O15 1.96(2) 3_565
W8 O13 2.04(2) 2_665
W8 Rb2 4.216(9) 12
