#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:23:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179479 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/76/4337667.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_4337667
loop_
_publ_author_name
'Xiao, Bin'
'Gesing, Thorsten M.'
'Kegler, Philip'
'Modolo, Giuseppe'
'Bosbach, Dirk'
'Schlenz, Hartmut'
'Suleimanov, Evgeny V.'
'Alekseev, Evgeny V.'
_publ_section_title
;
 High-temperature phase transitions, spectroscopic properties, and
 dimensionality reduction in rubidium thorium molybdate family.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3088
_journal_page_last               3098
_journal_paper_doi               10.1021/ic403003f
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Mo12 O48 Rb4 Th5'
_chemical_formula_weight         3421.36
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.5390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.3907(4)
_cell_length_b                   16.8025(2)
_cell_length_c                   10.20160(10)
_cell_measurement_reflns_used    22353
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.7681
_cell_measurement_theta_min      3.1612
_cell_volume                     4936.11(10)
_computing_cell_refinement
;
 ?
;
_computing_data_collection
;
 ?
;
_computing_data_reduction
;
 ?
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9834
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω 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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            34902
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    21.957
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 ?
;
_exptl_crystal_colour
;
 ?
;
_exptl_crystal_density_diffrn    4.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description
;
 ?
;
_exptl_crystal_F_000             5944
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         7.266
_refine_diff_density_min         -2.364
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         6058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0170P)²+161.8869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                5727
_reflns_number_total             6058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic403003f_si_004.cif
_cod_data_source_block           Rb4Th5Mo12O48
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4337667
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Rb1 Rb -0.02599(6) 0.46952(11) 0.0991(2) 0.0392(4) Uani 0.50 1 d P
Rb2 Rb 0.0000 0.29572(7) 0.7500 0.0382(3) Uani 1 2 d S
Rb3 Rb -0.15265(3) 0.01977(5) 0.26956(8) 0.03245(18) Uani 1 1 d .
Th1 Th 0.0000 0.123938(18) 1.2500 0.00933(7) Uani 1 2 d S
Th2 Th -0.160351(8) 0.205483(13) 0.59083(2) 0.01046(6) Uani 1 1 d .
Th3 Th -0.171592(7) 0.392368(13) 1.07764(2) 0.00945(5) Uani 1 1 d .
Mo1 Mo -0.110109(19) 0.41605(3) 0.76280(5) 0.01213(11) Uani 1 1 d .
Mo2 Mo -0.11577(2) 0.18141(4) 0.97853(6) 0.02002(13) Uani 1 1 d .
Mo3 Mo -0.075559(18) 0.30271(3) 0.37647(5) 0.01065(10) Uani 1 1 d .
Mo4 Mo -0.227588(18) 0.40785(3) 0.40751(5) 0.00996(10) Uani 1 1 d .
Mo5 Mo -0.239500(18) 0.20405(3) 0.22307(5) 0.00954(10) Uani 1 1 d .
Mo6 Mo -0.06083(2) 0.07771(3) 0.55608(6) 0.01447(11) Uani 1 1 d .
O1 O -0.21140(17) 0.0999(3) 0.6323(5) 0.0201(10) Uani 1 1 d .
O2 O -0.20381(18) 0.1582(3) 0.3638(5) 0.0196(10) Uani 1 1 d .
O3 O -0.23932(18) 0.3668(3) 0.9018(5) 0.0197(10) Uani 1 1 d .
O4 O -0.1241(2) 0.5089(3) 1.1413(5) 0.0268(12) Uani 1 1 d .
O5 O -0.21418(19) 0.5153(3) 1.0233(5) 0.0226(11) Uani 1 1 d .
O6 O -0.12268(19) 0.1598(3) 0.8057(5) 0.0235(11) Uani 1 1 d .
O7 O -0.21229(18) 0.2531(4) 0.7287(5) 0.0259(12) Uani 1 1 d .
O8 O -0.2084(2) 0.2775(3) 1.1554(5) 0.0263(12) Uani 1 1 d .
O9 O -0.12032(19) 0.3198(3) 0.6908(6) 0.0252(11) Uani 1 1 d .
O10 O -0.12185(18) 0.0836(3) 0.5494(5) 0.0226(11) Uani 1 1 d .
O11 O -0.20487(19) 0.3165(3) 0.4750(6) 0.0261(12) Uani 1 1 d .
O12 O -0.0505(2) 0.0780(4) 1.3897(6) 0.0292(13) Uani 1 1 d .
O13 O -0.2059(2) 0.4313(3) 1.2636(6) 0.0304(13) Uani 1 1 d .
O14 O -0.0518(2) 0.4245(4) 0.8293(6) 0.0368(15) Uani 1 1 d .
O15 O -0.0355(2) 0.2406(4) 1.3223(7) 0.0357(15) Uani 1 1 d .
O16 O -0.1421(3) 0.4306(4) 0.8901(6) 0.0372(15) Uani 1 1 d .
O17 O -0.1361(3) 0.2783(4) 1.0014(6) 0.0386(16) Uani 1 1 d .
O18 O -0.0470(2) 0.3670(4) 0.4945(6) 0.0414(16) Uani 1 1 d .
O19 O -0.1137(3) 0.2411(4) 0.4448(7) 0.0457(19) Uani 1 1 d .
O20 O 0.0399(2) 0.0102(4) 1.3611(7) 0.0484(16) Uani 1 1 d .
O21 O -0.1072(3) 0.3596(4) 1.2434(7) 0.050(2) Uani 1 1 d .
O22 O -0.0577(2) 0.1693(5) 1.0619(7) 0.0487(19) Uani 1 1 d .
O23 O -0.1482(3) 0.1145(5) 1.0451(8) 0.057(2) Uani 1 1 d .
O24 O -0.0356(3) 0.1581(6) 0.6365(10) 0.073(3) 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
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Th Th -7.2400 8.8979 '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
O14 Rb1 O14 117.44(14) 1_554 5_566
O14 Rb1 Rb1 59.82(15) 1_554 5_565
O14 Rb1 Rb1 57.63(15) 5_566 5_565
O14 Rb1 O18 84.34(19) 1_554 6_565
O14 Rb1 O18 67.37(19) 5_566 6_565
Rb1 Rb1 O18 62.05(17) 5_565 6_565
O14 Rb1 O18 67.02(18) 1_554 2
O14 Rb1 O18 81.74(19) 5_566 2
Rb1 Rb1 O18 59.24(14) 5_565 2
O18 Rb1 O18 121.29(14) 6_565 2
O14 Rb1 O4 96.83(17) 1_554 1_554
O14 Rb1 O4 123.48(17) 5_566 1_554
Rb1 Rb1 O4 130.58(15) 5_565 1_554
O18 Rb1 O4 73.57(19) 6_565 1_554
O18 Rb1 O4 154.76(17) 2 1_554
O14 Rb1 Rb1 160.13(14) 1_554 2
O14 Rb1 Rb1 63.02(14) 5_566 2
Rb1 Rb1 Rb1 116.94(10) 5_565 2
O18 Rb1 Rb1 112.11(13) 6_565 2
O18 Rb1 Rb1 94.14(13) 2 2
O4 Rb1 Rb1 98.51(13) 1_554 2
O14 Rb1 O14 145.4(2) 1_554 6_565
O14 Rb1 O14 76.0(2) 5_566 6_565
Rb1 Rb1 O14 123.22(15) 5_565 6_565
O18 Rb1 O14 71.43(18) 6_565 6_565
O18 Rb1 O14 147.12(17) 2 6_565
O4 Rb1 O14 53.31(15) 1_554 6_565
Rb1 Rb1 O14 54.18(12) 2 6_565
O14 Rb1 O21 101.19(18) 1_554 1_554
O14 Rb1 O21 141.33(18) 5_566 1_554
Rb1 Rb1 O21 160.93(14) 5_565 1_554
O18 Rb1 O21 121.37(19) 6_565 1_554
O18 Rb1 O21 114.07(18) 2 1_554
O4 Rb1 O21 47.81(15) 1_554 1_554
Rb1 Rb1 O21 80.20(12) 2 1_554
O14 Rb1 O21 72.82(17) 6_565 1_554
O14 Rb1 Mo1 119.92(14) 1_554 6_565
O14 Rb1 Mo1 97.46(14) 5_566 6_565
Rb1 Rb1 Mo1 126.95(9) 5_565 6_565
O18 Rb1 Mo1 65.16(15) 6_565 6_565
O18 Rb1 Mo1 171.96(14) 2 6_565
O4 Rb1 Mo1 27.36(10) 1_554 6_565
Rb1 Rb1 Mo1 78.46(6) 2 6_565
O14 Rb1 Mo1 26.88(11) 6_565 6_565
O21 Rb1 Mo1 61.89(12) 1_554 6_565
O14 Rb1 Mo1 22.96(13) 1_554 1_554
O14 Rb1 Mo1 134.13(15) 5_566 1_554
Rb1 Rb1 Mo1 78.58(7) 5_565 1_554
O18 Rb1 Mo1 81.26(13) 6_565 1_554
O18 Rb1 Mo1 87.50(12) 2 1_554
O4 Rb1 Mo1 74.11(10) 1_554 1_554
Rb1 Rb1 Mo1 162.71(7) 2 1_554
O14 Rb1 Mo1 125.34(12) 6_565 1_554
O21 Rb1 Mo1 83.42(11) 1_554 1_554
Mo1 Rb1 Mo1 98.63(4) 6_565 1_554
O14 Rb1 Mo3 85.71(13) 1_554 2
O14 Rb1 Mo3 82.81(13) 5_566 2
Rb1 Rb1 Mo3 78.87(6) 5_565 2
O18 Rb1 Mo3 139.27(16) 6_565 2
O18 Rb1 Mo3 22.49(12) 2 2
O4 Rb1 Mo3 146.96(12) 1_554 2
Rb1 Rb1 Mo3 74.55(5) 2 2
O14 Rb1 Mo3 128.71(12) 6_565 2
O21 Rb1 Mo3 99.29(12) 1_554 2
Mo1 Rb1 Mo3 149.51(6) 6_565 2
Mo1 Rb1 Mo3 102.89(4) 1_554 2
O24 Rb2 O24 62.3(4) 2_556 .
O24 Rb2 O14 135.3(3) 2_556 .
O24 Rb2 O14 126.0(2) . .
O24 Rb2 O14 126.0(2) 2_556 2_556
O24 Rb2 O14 135.3(3) . 2_556
O14 Rb2 O14 81.4(3) . 2_556
O24 Rb2 O18 143.1(3) 2_556 .
O24 Rb2 O18 84.0(2) . .
O14 Rb2 O18 76.16(19) . .
O14 Rb2 O18 67.88(18) 2_556 .
O24 Rb2 O18 84.0(2) 2_556 2_556
O24 Rb2 O18 143.1(3) . 2_556
O14 Rb2 O18 67.88(18) . 2_556
O14 Rb2 O18 76.16(19) 2_556 2_556
O18 Rb2 O18 132.1(2) . 2_556
O24 Rb2 O9 117.8(2) 2_556 .
O24 Rb2 O9 74.5(2) . .
O14 Rb2 O9 51.83(15) . .
O14 Rb2 O9 116.25(15) 2_556 .
O18 Rb2 O9 61.36(18) . .
O18 Rb2 O9 112.66(17) 2_556 .
O24 Rb2 O9 74.5(2) 2_556 2_556
O24 Rb2 O9 117.7(2) . 2_556
O14 Rb2 O9 116.25(15) . 2_556
O14 Rb2 O9 51.83(15) 2_556 2_556
O18 Rb2 O9 112.66(17) . 2_556
O18 Rb2 O9 61.36(18) 2_556 2_556
O9 Rb2 O9 166.69(18) . 2_556
O24 Rb2 Mo1 133.9(2) 2_556 .
O24 Rb2 Mo1 102.0(2) . .
O14 Rb2 Mo1 24.56(12) . .
O14 Rb2 Mo1 96.38(13) 2_556 .
O18 Rb2 Mo1 64.36(15) . .
O18 Rb2 Mo1 90.29(14) 2_556 .
O9 Rb2 Mo1 27.53(9) . .
O9 Rb2 Mo1 139.88(9) 2_556 .
O24 Rb2 Mo1 102.0(2) 2_556 2_556
O24 Rb2 Mo1 133.9(2) . 2_556
O14 Rb2 Mo1 96.38(13) . 2_556
O14 Rb2 Mo1 24.56(12) 2_556 2_556
O18 Rb2 Mo1 90.29(14) . 2_556
O18 Rb2 Mo1 64.36(15) 2_556 2_556
O9 Rb2 Mo1 139.88(9) . 2_556
O9 Rb2 Mo1 27.53(9) 2_556 2_556
Mo1 Rb2 Mo1 116.46(3) . 2_556
O24 Rb2 Mo3 121.7(2) 2_556 .
O24 Rb2 Mo3 61.6(2) . .
O14 Rb2 Mo3 91.26(12) . .
O14 Rb2 Mo3 86.19(12) 2_556 .
O18 Rb2 Mo3 22.43(12) . .
O18 Rb2 Mo3 154.23(12) 2_556 .
O9 Rb2 Mo3 58.85(9) . .
O9 Rb2 Mo3 120.69(9) 2_556 .
Mo1 Rb2 Mo3 72.940(13) . .
Mo1 Rb2 Mo3 105.219(16) 2_556 .
O24 Rb2 Mo3 61.6(2) 2_556 2_556
O24 Rb2 Mo3 121.7(2) . 2_556
O14 Rb2 Mo3 86.19(12) . 2_556
O14 Rb2 Mo3 91.26(12) 2_556 2_556
O18 Rb2 Mo3 154.23(12) . 2_556
O18 Rb2 Mo3 22.43(12) 2_556 2_556
O9 Rb2 Mo3 120.70(9) . 2_556
O9 Rb2 Mo3 58.85(9) 2_556 2_556
Mo1 Rb2 Mo3 105.221(16) . 2_556
Mo1 Rb2 Mo3 72.938(13) 2_556 2_556
Mo3 Rb2 Mo3 176.64(4) . 2_556
O23 Rb3 O1 97.0(2) 1_554 6
O23 Rb3 O10 121.0(2) 1_554 .
O1 Rb3 O10 139.35(15) 6 .
O23 Rb3 O2 86.0(2) 1_554 .
O1 Rb3 O2 114.20(14) 6 .
O10 Rb3 O2 60.02(13) . .
O23 Rb3 O10 70.2(2) 1_554 6
O1 Rb3 O10 58.92(14) 6 6
O10 Rb3 O10 143.72(18) . 6
O2 Rb3 O10 153.10(14) . 6
O23 Rb3 O6 125.5(2) 1_554 6
O1 Rb3 O6 60.35(14) 6 6
O10 Rb3 O6 101.90(13) . 6
O2 Rb3 O6 147.66(14) . 6
O10 Rb3 O6 55.55(14) 6 6
O23 Rb3 O12 86.9(2) 1_554 1_554
O1 Rb3 O12 148.11(15) 6 1_554
O10 Rb3 O12 56.00(14) . 1_554
O2 Rb3 O12 97.62(14) . 1_554
O10 Rb3 O12 93.54(14) 6 1_554
O6 Rb3 O12 91.68(14) 6 1_554
O23 Rb3 O23 173.5(3) 1_554 6
O1 Rb3 O23 82.16(16) 6 6
O10 Rb3 O23 61.61(15) . 6
O2 Rb3 O23 100.21(15) . 6
O10 Rb3 O23 104.12(15) 6 6
O6 Rb3 O23 48.60(15) 6 6
O12 Rb3 O23 90.45(17) 1_554 6
O23 Rb3 Mo6 110.46(18) 1_554 .
O1 Rb3 Mo6 148.86(11) 6 .
O10 Rb3 Mo6 28.65(10) . .
O2 Rb3 Mo6 82.93(9) . .
O10 Rb3 Mo6 116.52(10) 6 .
O6 Rb3 Mo6 90.96(9) 6 .
O12 Rb3 Mo6 28.87(10) 1_554 .
O23 Rb3 Mo6 68.83(13) 6 .
O23 Rb3 Mo5 66.18(18) 1_554 .
O1 Rb3 Mo5 100.40(10) 6 .
O10 Rb3 Mo5 84.26(10) . .
O2 Rb3 Mo5 24.93(9) . .
O10 Rb3 Mo5 128.32(11) 6 .
O6 Rb3 Mo5 156.70(10) 6 .
O12 Rb3 Mo5 110.00(11) 1_554 .
O23 Rb3 Mo5 120.33(13) 6 .
Mo6 Rb3 Mo5 103.83(2) . .
O23 Rb3 Mo2 148.68(18) 1_554 6
O1 Rb3 Mo2 74.84(11) 6 6
O10 Rb3 Mo2 78.41(10) . 6
O2 Rb3 Mo2 125.07(10) . 6
O10 Rb3 Mo2 80.06(10) 6 6
O6 Rb3 Mo2 24.91(9) 6 6
O12 Rb3 Mo2 85.44(11) 1_554 6
O23 Rb3 Mo2 24.94(12) 6 6
Mo6 Rb3 Mo2 74.064(19) . 6
Mo5 Rb3 Mo2 144.51(3) . 6
O23 Rb3 Mo4 94.42(18) 1_554 4_445
O1 Rb3 Mo4 21.09(10) 6 4_445
O10 Rb3 Mo4 130.72(11) . 4_445
O2 Rb3 Mo4 93.17(10) . 4_445
O10 Rb3 Mo4 76.89(9) 6 4_445
O6 Rb3 Mo4 78.84(9) 6 4_445
O12 Rb3 Mo4 169.20(11) 1_554 4_445
O23 Rb3 Mo4 87.14(13) 6 4_445
Mo6 Rb3 Mo4 154.39(3) . 4_445
Mo5 Rb3 Mo4 80.203(19) . 4_445
Mo2 Rb3 Mo4 87.97(2) 6 4_445
O12 Th1 O12 142.2(3) . 2_557
O12 Th1 O20 76.3(2) . .
O12 Th1 O20 73.8(2) 2_557 .
O12 Th1 O20 73.8(2) . 2_557
O12 Th1 O20 76.3(2) 2_557 2_557
O20 Th1 O20 74.7(4) . 2_557
O12 Th1 O15 73.8(2) . .
O12 Th1 O15 143.9(2) 2_557 .
O20 Th1 O15 134.7(2) . .
O20 Th1 O15 126.3(2) 2_557 .
O12 Th1 O15 143.9(2) . 2_557
O12 Th1 O15 73.8(2) 2_557 2_557
O20 Th1 O15 126.3(2) . 2_557
O20 Th1 O15 134.7(2) 2_557 2_557
O15 Th1 O15 70.7(3) . 2_557
O12 Th1 O22 98.9(2) . .
O12 Th1 O22 92.9(2) 2_557 .
O20 Th1 O22 145.5(3) . .
O20 Th1 O22 71.2(3) 2_557 .
O15 Th1 O22 73.0(2) . .
O15 Th1 O22 77.2(3) 2_557 .
O12 Th1 O22 92.9(2) . 2_557
O12 Th1 O22 98.9(2) 2_557 2_557
O20 Th1 O22 71.2(3) . 2_557
O20 Th1 O22 145.5(3) 2_557 2_557
O15 Th1 O22 77.2(3) . 2_557
O15 Th1 O22 73.0(2) 2_557 2_557
O22 Th1 O22 143.2(4) . 2_557
O19 Th2 O9 76.0(2) . .
O19 Th2 O6 117.0(3) . .
O9 Th2 O6 76.45(19) . .
O19 Th2 O7 145.3(2) . .
O9 Th2 O7 78.36(19) . .
O6 Th2 O7 78.55(18) . .
O19 Th2 O1 141.1(2) . .
O9 Th2 O1 142.28(18) . .
O6 Th2 O1 78.00(18) . .
O7 Th2 O1 69.68(19) . .
O19 Th2 O10 75.3(2) . .
O9 Th2 O10 123.47(19) . .
O6 Th2 O10 74.90(17) . .
O7 Th2 O10 139.14(19) . .
O1 Th2 O10 74.78(18) . .
O19 Th2 O11 79.5(2) . .
O9 Th2 O11 76.2(2) . .
O6 Th2 O11 142.97(18) . .
O7 Th2 O11 71.9(2) . .
O1 Th2 O11 110.73(17) . .
O10 Th2 O11 141.84(19) . .
O19 Th2 O2 75.3(2) . .
O9 Th2 O2 139.56(18) . .
O6 Th2 O2 142.83(18) . .
O7 Th2 O2 111.99(17) . .
O1 Th2 O2 73.33(17) . .
O10 Th2 O2 75.11(17) . .
O11 Th2 O2 71.00(17) . .
O19 Th2 Mo6 60.24(19) . .
O9 Th2 Mo6 100.21(14) . .
O6 Th2 Mo6 70.72(12) . .
O7 Th2 Mo6 148.56(13) . .
O1 Th2 Mo6 96.98(12) . .
O10 Th2 Mo6 23.88(13) . .
O11 Th2 Mo6 138.88(14) . .
O2 Th2 Mo6 89.66(11) . .
O19 Th2 Rb3 122.06(18) . 6_556
O9 Th2 Rb3 124.43(14) . 6_556
O6 Th2 Rb3 48.07(13) . 6_556
O7 Th2 Rb3 91.78(15) . 6_556
O1 Th2 Rb3 40.64(12) . 6_556
O10 Th2 Rb3 47.46(13) . 6_556
O11 Th2 Rb3 151.36(13) . 6_556
O2 Th2 Rb3 95.04(11) . 6_556
Mo6 Th2 Rb3 62.780(16) . 6_556
O19 Th2 Rb3 65.84(16) . .
O9 Th2 Rb3 140.38(13) . .
O6 Th2 Rb3 111.14(12) . .
O7 Th2 Rb3 140.73(14) . .
O1 Th2 Rb3 75.26(13) . .
O10 Th2 Rb3 37.16(12) . .
O11 Th2 Rb3 105.86(14) . .
O2 Th2 Rb3 38.64(11) . .
Mo6 Th2 Rb3 51.759(14) . .
Rb3 Th2 Rb3 71.854(6) 6_556 .
O21 Th3 O16 106.1(3) . .
O21 Th3 O17 72.7(2) . .
O16 Th3 O17 72.3(2) . .
O21 Th3 O13 84.3(3) . .
O16 Th3 O13 148.2(2) . .
O17 Th3 O13 138.9(2) . .
O21 Th3 O4 69.9(2) . .
O16 Th3 O4 73.1(2) . .
O17 Th3 O4 118.1(2) . .
O13 Th3 O4 83.0(2) . .
O21 Th3 O5 132.3(2) . .
O16 Th3 O5 80.7(2) . .
O17 Th3 O5 148.28(19) . .
O13 Th3 O5 70.74(19) . .
O4 Th3 O5 67.3(2) . .
O21 Th3 O8 85.7(2) . .
O16 Th3 O8 138.4(2) . .
O17 Th3 O8 73.7(2) . .
O13 Th3 O8 70.98(19) . .
O4 Th3 O8 146.02(19) . .
O5 Th3 O8 120.7(2) . .
O21 Th3 O3 156.2(2) . .
O16 Th3 O3 80.1(2) . .
O17 Th3 O3 88.0(2) . .
O13 Th3 O3 102.6(2) . .
O4 Th3 O3 133.14(18) . .
O5 Th3 O3 70.94(17) . .
O8 Th3 O3 75.39(18) . .
O21 Th3 Rb1 53.1(2) . 1_556
O16 Th3 Rb1 56.58(18) . 1_556
O17 Th3 Rb1 76.70(19) . 1_556
O13 Th3 Rb1 115.67(16) . 1_556
O4 Th3 Rb1 41.42(14) . 1_556
O5 Th3 Rb1 102.20(14) . 1_556
O8 Th3 Rb1 134.95(14) . 1_556
O3 Th3 Rb1 136.57(13) . 1_556
O14 Mo1 O4 107.0(3) . 6_565
O14 Mo1 O16 109.5(3) . .
O4 Mo1 O16 109.6(3) 6_565 .
O14 Mo1 O9 108.1(3) . .
O4 Mo1 O9 111.4(3) 6_565 .
O16 Mo1 O9 111.1(3) . .
O14 Mo1 Rb1 56.1(2) . 6_566
O4 Mo1 Rb1 53.42(19) 6_565 6_566
O16 Mo1 Rb1 138.3(2) . 6_566
O9 Mo1 Rb1 110.61(18) . 6_566
O14 Mo1 Rb2 43.6(2) . .
O4 Mo1 Rb2 115.66(18) 6_565 .
O16 Mo1 Rb2 132.4(2) . .
O9 Mo1 Rb2 65.20(18) . .
Rb1 Mo1 Rb2 67.80(3) 6_566 .
O14 Mo1 Rb1 39.6(2) . 1_556
O4 Mo1 Rb1 118.1(2) 6_565 1_556
O16 Mo1 Rb1 70.1(2) . 1_556
O9 Mo1 Rb1 126.63(19) . 1_556
Rb1 Mo1 Rb1 85.18(3) 6_566 1_556
Rb2 Mo1 Rb1 76.21(3) . 1_556
O23 Mo2 O22 107.3(4) . .
O23 Mo2 O17 109.0(4) . .
O22 Mo2 O17 111.3(3) . .
O23 Mo2 O6 107.5(4) . .
O22 Mo2 O6 111.4(3) . .
O17 Mo2 O6 110.3(3) . .
O23 Mo2 Rb3 62.8(3) . 6_556
O22 Mo2 Rb3 106.9(2) . 6_556
O17 Mo2 Rb3 141.4(2) . 6_556
O6 Mo2 Rb3 48.39(19) . 6_556
O23 Mo2 Rb3 21.9(3) . 1_556
O22 Mo2 Rb3 87.0(3) . 1_556
O17 Mo2 Rb3 110.6(2) . 1_556
O6 Mo2 Rb3 124.10(19) . 1_556
Rb3 Mo2 Rb3 76.006(13) 6_556 1_556
O18 Mo3 O15 109.5(3) . 1_554
O18 Mo3 O21 108.0(3) . 1_554
O15 Mo3 O21 111.4(3) 1_554 1_554
O18 Mo3 O19 110.7(3) . .
O15 Mo3 O19 107.3(3) 1_554 .
O21 Mo3 O19 110.0(4) 1_554 .
O18 Mo3 Rb2 41.2(2) . .
O15 Mo3 Rb2 90.2(2) 1_554 .
O21 Mo3 Rb2 148.5(2) 1_554 .
O19 Mo3 Rb2 83.2(3) . .
O18 Mo3 Rb1 43.1(3) . 2
O15 Mo3 Rb1 84.1(2) 1_554 2
O21 Mo3 Rb1 86.6(3) 1_554 2
O19 Mo3 Rb1 153.5(2) . 2
Rb2 Mo3 Rb1 72.64(3) . 2
O5 Mo4 O11 111.4(3) 6_565 .
O5 Mo4 O13 109.3(3) 6_565 1_554
O11 Mo4 O13 110.5(3) . 1_554
O5 Mo4 O1 107.1(3) 6_565 7_456
O11 Mo4 O1 108.3(2) . 7_456
O13 Mo4 O1 110.3(3) 1_554 7_456
O5 Mo4 Rb3 90.98(18) 6_565 4_455
O11 Mo4 Rb3 143.32(18) . 4_455
O13 Mo4 Rb3 87.3(2) 1_554 4_455
O1 Mo4 Rb3 35.33(16) 7_456 4_455
O7 Mo5 O8 109.6(3) 7_456 1_554
O7 Mo5 O3 107.1(2) 7_456 7_456
O8 Mo5 O3 109.0(3) 1_554 7_456
O7 Mo5 O2 109.4(2) 7_456 .
O8 Mo5 O2 110.7(3) 1_554 .
O3 Mo5 O2 110.9(2) 7_456 .
O7 Mo5 Rb3 145.6(2) 7_456 .
O8 Mo5 Rb3 102.8(2) 1_554 .
O3 Mo5 Rb3 71.73(16) 7_456 .
O2 Mo5 Rb3 45.97(16) . .
O24 Mo6 O20 111.4(4) . 5_557
O24 Mo6 O12 108.8(4) . 1_554
O20 Mo6 O12 110.6(3) 5_557 1_554
O24 Mo6 O10 108.5(4) . .
O20 Mo6 O10 108.6(3) 5_557 .
O12 Mo6 O10 108.9(3) 1_554 .
O24 Mo6 Rb3 141.5(3) . .
O20 Mo6 Rb3 106.9(3) 5_557 .
O12 Mo6 Rb3 58.9(2) 1_554 .
O10 Mo6 Rb3 54.14(17) . .
O24 Mo6 Th2 76.5(3) . .
O20 Mo6 Th2 130.6(2) 5_557 .
O12 Mo6 Th2 112.18(19) 1_554 .
O10 Mo6 Th2 33.28(18) . .
Rb3 Mo6 Th2 76.249(17) . .
O24 Mo6 Rb3 109.5(4) . 6_556
O20 Mo6 Rb3 67.3(2) 5_557 6_556
O12 Mo6 Rb3 139.1(2) 1_554 6_556
O10 Mo6 Rb3 44.28(17) . 6_556
Rb3 Mo6 Rb3 82.049(19) . 6_556
Th2 Mo6 Rb3 64.368(15) . 6_556
Mo4 O1 Th2 130.8(3) 7_456 .
Mo4 O1 Rb3 123.6(2) 7_456 6_556
Th2 O1 Rb3 105.63(17) . 6_556
Mo5 O2 Th2 135.2(2) . .
Mo5 O2 Rb3 109.1(2) . .
Th2 O2 Rb3 109.80(17) . .
Mo5 O3 Th3 140.3(3) 7_456 .
Mo1 O4 Th3 144.2(3) 6_566 .
Mo1 O4 Rb1 99.2(2) 6_566 1_556
Th3 O4 Rb1 107.2(2) . 1_556
Mo4 O5 Th3 145.5(3) 6_566 .
Mo2 O6 Th2 142.3(3) . .
Mo2 O6 Rb3 106.7(2) . 6_556
Th2 O6 Rb3 97.69(17) . 6_556
Mo5 O7 Th2 161.1(3) 7_456 .
Mo5 O8 Th3 171.8(3) 1_556 .
Mo1 O9 Th2 160.5(3) . .
Mo1 O9 Rb2 87.27(19) . .
Th2 O9 Rb2 112.25(19) . .
Mo6 O10 Th2 122.8(3) . .
Mo6 O10 Rb3 97.2(2) . .
Th2 O10 Rb3 113.86(18) . .
Mo6 O10 Rb3 112.1(2) . 6_556
Th2 O10 Rb3 97.63(16) . 6_556
Rb3 O10 Rb3 114.16(18) . 6_556
Mo4 O11 Th2 168.6(3) . .
Mo6 O12 Th1 144.6(3) 1_556 .
Mo6 O12 Rb3 92.3(2) 1_556 1_556
Th1 O12 Rb3 121.7(2) . 1_556
Mo4 O13 Th3 151.1(3) 1_556 .
Mo1 O14 Rb1 117.5(3) . 1_556
Mo1 O14 Rb2 111.8(3) . .
Rb1 O14 Rb2 115.3(2) 1_556 .
Mo1 O14 Rb1 146.2(3) . 5_566
Rb1 O14 Rb1 62.55(14) 1_556 5_566
Rb2 O14 Rb1 95.74(19) . 5_566
Mo1 O14 Rb1 97.0(3) . 6_566
Rb1 O14 Rb1 121.3(2) 1_556 6_566
Rb2 O14 Rb1 89.76(19) . 6_566
Rb1 O14 Rb1 62.80(16) 5_566 6_566
Mo3 O15 Th1 161.2(3) 1_556 .
Mo1 O16 Th3 154.3(4) . .
Mo2 O17 Th3 164.9(4) . .
Mo3 O18 Rb2 116.4(3) . .
Mo3 O18 Rb1 151.2(3) . 6_566
Rb2 O18 Rb1 91.80(17) . 6_566
Mo3 O18 Rb1 114.4(3) . 2
Rb2 O18 Rb1 105.8(2) . 2
Rb1 O18 Rb1 58.70(14) 6_566 2
Mo3 O19 Th2 156.4(4) . .
Mo6 O20 Th1 171.6(4) 5_557 .
Mo3 O21 Th3 155.4(5) 1_556 .
Mo3 O21 Rb1 107.8(3) 1_556 1_556
Th3 O21 Rb1 95.2(2) . 1_556
Mo2 O22 Th1 151.6(5) . .
Mo2 O23 Rb3 145.1(4) . 1_556
Mo2 O23 Rb3 92.2(3) . 6_556
Rb3 O23 Rb3 106.3(2) 1_556 6_556
Mo6 O24 Rb2 174.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 O14 2.808(7) 1_554
Rb1 O14 2.874(6) 5_566
Rb1 Rb1 2.950(4) 5_565
Rb1 O18 2.967(6) 6_565
Rb1 O18 3.050(7) 2
Rb1 O4 3.071(6) 1_554
Rb1 Rb1 3.152(4) 2
Rb1 O14 3.158(7) 6_565
Rb1 O21 3.560(9) 1_554
Rb1 Mo1 3.7750(17) 6_565
Rb1 Mo1 3.9107(19) 1_554
Rb1 Mo3 4.0656(17) 2
Rb2 O24 2.702(8) 2_556
Rb2 O24 2.702(8) .
Rb2 O14 2.854(7) .
Rb2 O14 2.854(7) 2_556
Rb2 O18 2.948(6) .
Rb2 O18 2.948(6) 2_556
Rb2 O9 3.490(6) .
Rb2 O9 3.490(6) 2_556
Rb2 Mo1 3.8402(8) .
Rb2 Mo1 3.8403(8) 2_556
Rb2 Mo3 4.0100(5) .
Rb2 Mo3 4.0101(5) 2_556
Rb3 O23 2.814(7) 1_554
Rb3 O1 2.832(5) 6
Rb3 O10 3.014(5) .
Rb3 O2 3.029(5) .
Rb3 O10 3.113(5) 6
Rb3 O6 3.144(6) 6
Rb3 O12 3.161(6) 1_554
Rb3 O23 3.586(9) 6
Rb3 Mo6 3.6902(10) .
Rb3 Mo5 3.9804(10) .
Rb3 Mo2 4.0275(10) 6
Rb3 Mo4 4.0797(10) 4_445
Th1 O12 2.383(5) .
Th1 O12 2.383(5) 2_557
Th1 O20 2.405(6) .
Th1 O20 2.405(6) 2_557
Th1 O15 2.405(6) .
Th1 O15 2.405(6) 2_557
Th1 O22 2.416(6) .
Th1 O22 2.417(6) 2_557
Th2 O19 2.297(6) .
Th2 O9 2.373(5) .
Th2 O6 2.377(5) .
Th2 O7 2.410(5) .
Th2 O1 2.415(5) .
Th2 O10 2.418(5) .
Th2 O11 2.443(5) .
Th2 O2 2.539(5) .
Th2 Mo6 3.7020(6) .
Th2 Rb3 4.1874(8) 6_556
Th3 O21 2.338(6) .
Th3 O16 2.343(6) .
Th3 O17 2.386(6) .
Th3 O13 2.410(5) .
Th3 O4 2.418(5) .
Th3 O5 2.422(5) .
Th3 O8 2.423(5) .
Th3 O3 2.436(5) .
Th3 Rb1 4.4349(18) 1_556
Mo1 O14 1.719(6) .
Mo1 O4 1.757(5) 6_565
Mo1 O16 1.766(6) .
Mo1 O9 1.777(5) .
Mo1 Rb1 3.7752(17) 6_566
Mo1 Rb1 3.9108(19) 1_556
Mo2 O23 1.700(8) .
Mo2 O22 1.759(6) .
Mo2 O17 1.765(6) .
Mo2 O6 1.771(5) .
Mo2 Rb3 4.0274(10) 6_556
Mo2 Rb3 4.3188(11) 1_556
Mo3 O18 1.708(6) .
Mo3 O15 1.744(6) 1_554
Mo3 O21 1.765(6) 1_554
Mo3 O19 1.768(6) .
Mo3 Rb1 4.0656(17) 2
Mo4 O5 1.741(5) 6_565
Mo4 O11 1.759(5) .
Mo4 O13 1.759(5) 1_554
Mo4 O1 1.762(5) 7_456
Mo4 Rb3 4.0799(10) 4_455
Mo5 O7 1.746(5) 7_456
Mo5 O8 1.757(5) 1_554
Mo5 O3 1.764(5) 7_456
Mo5 O2 1.775(5) .
Mo6 O24 1.674(8) .
Mo6 O20 1.751(6) 5_557
Mo6 O12 1.783(6) 1_554
Mo6 O10 1.784(5) .
Mo6 Rb3 4.1301(11) 6_556
O1 Mo4 1.762(5) 7_456
O1 Rb3 2.832(5) 6_556
O3 Mo5 1.764(5) 7_456
O4 Mo1 1.758(5) 6_566
O4 Rb1 3.071(6) 1_556
O5 Mo4 1.741(5) 6_566
O6 Rb3 3.144(6) 6_556
O7 Mo5 1.746(5) 7_456
O8 Mo5 1.757(5) 1_556
O10 Rb3 3.113(5) 6_556
O12 Mo6 1.783(6) 1_556
O12 Rb3 3.161(6) 1_556
O13 Mo4 1.759(5) 1_556
O14 Rb1 2.808(7) 1_556
O14 Rb1 2.874(6) 5_566
O14 Rb1 3.158(7) 6_566
O15 Mo3 1.744(6) 1_556
O18 Rb1 2.967(6) 6_566
O18 Rb1 3.050(7) 2
O20 Mo6 1.751(6) 5_557
O21 Mo3 1.765(6) 1_556
O21 Rb1 3.561(9) 1_556
O23 Rb3 2.814(7) 1_556
O23 Rb3 3.586(9) 6_556
