#------------------------------------------------------------------------------ #$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $ #$Revision: 288183 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/37/1563708.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_1563708 loop_ _publ_author_name 'Khal-baeva, Klara M.' 'Solodovnikov, Sergey F.' 'Khaikina, Elena G.' 'Kadyrova, Yuliya M.' 'Solodovnikova, Zoya A.' 'Basovich, Olga M.' _publ_section_title ; Phase formation features in the systems M2MoO4--Fe2(MoO4)3 (M=Rb, Cs) and crystal structures of new double polymolybdates M3FeMo4O15 ; _journal_issue 3 _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 712 _journal_page_last 719 _journal_paper_doi 10.1016/j.jssc.2010.01.008 _journal_volume 183 _journal_year 2010 _chemical_formula_moiety 'Fe Mo4 O15, 3(Rb)' _chemical_formula_sum 'Fe Mo4 O15 Rb3' _chemical_formula_weight 936.02 _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens none _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90.00 _cell_angle_beta 92.9640(10) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 11.6192(2) _cell_length_b 13.6801(3) _cell_length_c 9.7773(2) _cell_measurement_temperature 293(2) _cell_volume 1552.04(5) _computing_cell_refinement 'SAINT (Bruker, 2004)' _computing_data_collection 'APEX2 (Bruker, 2004)' _computing_data_reduction 'SAINT (Bruker, 2004)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.931 _diffrn_measured_fraction_theta_max 0.931 _diffrn_measurement_device_type 'Bruker-Nonius X8 APEX CCD diffractometer' _diffrn_measurement_method '\f scans, frame data integration' _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 0.0269 _diffrn_reflns_av_sigmaI/netI 0.0371 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 21101 _diffrn_reflns_theta_full 37.57 _diffrn_reflns_theta_max 37.57 _diffrn_reflns_theta_min 1.75 _diffrn_standards_decay_% 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 13.473 _exptl_absorpt_correction_T_max 0.3460 _exptl_absorpt_correction_T_min 0.2371 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 2004)' _exptl_crystal_colour light-yellow _exptl_crystal_density_diffrn 4.006 _exptl_crystal_density_method 'not measured' _exptl_crystal_description fragment _exptl_crystal_F_000 1700 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.614 _refine_diff_density_min -1.337 _refine_diff_density_rms 0.194 _refine_ls_extinction_coef 0.00027(5) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_hydrogen_treatment none _refine_ls_matrix_type full _refine_ls_number_parameters 212 _refine_ls_number_reflns 7635 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.033 _refine_ls_R_factor_all 0.0475 _refine_ls_R_factor_gt 0.0299 _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/[\s^2^(Fo^2^)+(0.0226P)^2^+1.8615P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0578 _refine_ls_wR_factor_ref 0.0616 _reflns_number_gt 6004 _reflns_number_total 7635 _reflns_threshold_expression >2sigma(I) _cod_data_source_file JSSC-2010-183-712.CIF _cod_data_source_block Rb3FeMo4O15 _cod_depositor_comments ; The following automatic conversions were performed: data name '_atom_site_symetry_multiplicity' was replaced with '_atom_site_symmetry_multiplicity' as specified in the replacement file 'data/replacement-values/replacement_tags.lst'. Automatic conversion script Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas ; _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1563708 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 _atom_site_disorder_assembly _atom_site_disorder_group Rb1 Rb 0.73948(3) 0.55223(2) 0.31760(3) 0.02531(7) Uani 1 1 d . . . Rb2 Rb 0.50058(3) 0.31492(2) 0.39352(3) 0.02795(7) Uani 1 1 d . . . Rb3 Rb 0.00809(4) 0.18587(2) -0.11888(3) 0.03168(8) Uani 1 1 d . . . Mo1 Mo 0.599916(19) 0.059827(17) 0.22094(2) 0.01305(5) Uani 1 1 d . . . Mo2 Mo 0.902838(19) 0.069395(17) 0.19807(2) 0.01433(5) Uani 1 1 d . . . Mo3 Mo 0.26413(2) 0.134519(17) 0.55780(2) 0.01397(5) Uani 1 1 d . . . Mo4 Mo 0.76840(2) 0.148641(18) 0.50942(3) 0.01625(5) Uani 1 1 d . . . Fe1 Fe 0.5000 0.0000 0.5000 0.01410(10) Uani 1 2 d S . . Fe2 Fe 0.0000 0.0000 0.5000 0.01464(10) Uani 1 2 d S . . O1 O 0.61257(18) 0.01334(16) 0.0596(2) 0.0194(4) Uani 1 1 d . . . O2 O 0.52598(19) 0.16719(16) 0.1924(2) 0.0224(4) Uani 1 1 d . . . O3 O 0.49199(16) -0.01875(15) 0.29652(19) 0.0160(4) Uani 1 1 d . . . O4 O 0.75931(17) 0.11162(15) 0.2532(2) 0.0171(4) Uani 1 1 d . . . O5 O 0.63598(17) 0.07709(16) 0.4498(2) 0.0182(4) Uani 1 1 d . . . O6 O 0.7178(2) -0.09280(19) 0.2733(2) 0.0276(5) Uani 1 1 d . . . O7 O 0.88054(18) 0.01764(17) 0.0390(2) 0.0224(4) Uani 1 1 d . . . O8 O 0.9938(2) 0.16689(17) 0.1761(2) 0.0250(5) Uani 1 1 d . . . O9 O 0.97709(18) -0.02383(16) 0.2988(2) 0.0196(4) Uani 1 1 d . . . O10 O 0.2290(2) 0.25627(18) 0.5547(3) 0.0370(6) Uani 1 1 d . . . O11 O 0.15393(19) 0.06507(19) 0.4674(2) 0.0267(5) Uani 1 1 d . . . O12 O 0.39651(18) 0.12027(15) 0.4738(2) 0.0195(4) Uani 1 1 d . . . O13 O 0.7709(2) 0.13656(18) 0.6827(2) 0.0305(5) Uani 1 1 d . . . O14 O 0.7444(2) 0.26937(17) 0.4754(2) 0.0278(5) Uani 1 1 d . . . O15 O 0.91611(18) 0.12314(15) 0.4623(2) 0.0211(4) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rb1 0.02743(15) 0.03003(16) 0.01819(13) 0.00038(11) -0.00161(11) -0.00042(12) Rb2 0.04145(19) 0.01919(14) 0.02249(14) -0.00170(11) -0.00526(13) 0.00451(12) Rb3 0.0551(2) 0.01891(14) 0.02153(15) 0.00012(11) 0.00695(14) 0.00768(14) Mo1 0.01092(9) 0.01746(10) 0.01063(9) -0.00074(7) -0.00061(7) -0.00047(8) Mo2 0.01178(10) 0.01706(10) 0.01427(10) -0.00127(8) 0.00178(7) 0.00028(8) Mo3 0.01193(10) 0.01592(10) 0.01408(10) -0.00084(8) 0.00067(7) 0.00009(8) Mo4 0.01308(10) 0.01577(11) 0.01969(11) 0.00064(8) -0.00112(8) -0.00228(8) Fe1 0.0103(2) 0.0198(3) 0.0124(2) 0.00076(19) 0.00247(17) -0.00029(19) Fe2 0.0118(2) 0.0189(3) 0.0129(2) -0.00087(19) -0.00217(18) 0.00074(19) O1 0.0184(9) 0.0252(11) 0.0146(9) -0.0025(8) 0.0021(7) -0.0005(8) O2 0.0239(11) 0.0233(11) 0.0199(10) 0.0011(8) 0.0006(8) 0.0031(9) O3 0.0130(8) 0.0212(10) 0.0139(8) -0.0007(7) -0.0002(7) -0.0014(7) O4 0.0145(9) 0.0194(10) 0.0175(9) -0.0027(7) 0.0016(7) -0.0014(7) O5 0.0131(9) 0.0266(11) 0.0149(9) -0.0005(8) 0.0012(7) -0.0055(8) O6 0.0227(11) 0.0432(14) 0.0168(10) 0.0003(9) 0.0013(8) 0.0029(10) O7 0.0189(10) 0.0312(12) 0.0168(9) -0.0045(8) -0.0024(8) 0.0016(9) O8 0.0251(11) 0.0289(12) 0.0216(11) -0.0026(9) 0.0067(9) -0.0100(9) O9 0.0216(10) 0.0218(10) 0.0151(9) -0.0032(8) -0.0015(7) 0.0037(8) O10 0.0373(15) 0.0236(12) 0.0503(17) -0.0035(11) 0.0047(12) 0.0097(11) O11 0.0171(10) 0.0422(14) 0.0209(11) -0.0032(10) 0.0010(8) -0.0106(9) O12 0.0162(9) 0.0198(10) 0.0231(10) 0.0015(8) 0.0061(8) 0.0020(8) O13 0.0382(14) 0.0299(13) 0.0229(11) -0.0003(10) -0.0026(10) -0.0050(11) O14 0.0350(13) 0.0187(10) 0.0299(12) -0.0009(9) 0.0023(10) 0.0054(9) O15 0.0159(9) 0.0196(10) 0.0276(11) 0.0030(8) -0.0018(8) 0.0019(8) 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' Fe Fe 0.3463 0.8444 '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' Mo Mo -1.6832 0.6857 '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 O7 Rb1 O10 85.45(7) 4_566 3_666 O7 Rb1 O13 88.04(7) 4_566 4_565 O10 Rb1 O13 165.49(8) 3_666 4_565 O7 Rb1 O1 65.22(6) 4_566 4_566 O10 Rb1 O1 89.24(7) 3_666 4_566 O13 Rb1 O1 99.77(7) 4_565 4_566 O7 Rb1 O3 130.35(6) 4_566 2_655 O10 Rb1 O3 122.46(7) 3_666 2_655 O13 Rb1 O3 71.31(6) 4_565 2_655 O1 Rb1 O3 74.30(6) 4_566 2_655 O7 Rb1 O11 117.71(6) 4_566 2_655 O10 Rb1 O11 106.60(7) 3_666 2_655 O13 Rb1 O11 65.31(7) 4_565 2_655 O1 Rb1 O11 163.92(6) 4_566 2_655 O3 Rb1 O11 94.32(6) 2_655 2_655 O7 Rb1 O12 171.16(6) 4_566 2_655 O10 Rb1 O12 99.16(7) 3_666 2_655 O13 Rb1 O12 85.74(6) 4_565 2_655 O1 Rb1 O12 122.08(5) 4_566 2_655 O3 Rb1 O12 52.94(5) 2_655 2_655 O11 Rb1 O12 53.80(5) 2_655 2_655 O7 Rb1 O2 131.23(6) 4_566 2_655 O10 Rb1 O2 72.28(6) 3_666 2_655 O13 Rb1 O2 121.30(6) 4_565 2_655 O1 Rb1 O2 71.52(5) 4_566 2_655 O3 Rb1 O2 50.18(5) 2_655 2_655 O11 Rb1 O2 110.16(5) 2_655 2_655 O12 Rb1 O2 57.59(5) 2_655 2_655 O7 Rb1 O8 69.87(6) 4_566 2_755 O10 Rb1 O8 59.64(6) 3_666 2_755 O13 Rb1 O8 105.92(6) 4_565 2_755 O1 Rb1 O8 126.73(6) 4_566 2_755 O3 Rb1 O8 158.36(5) 2_655 2_755 O11 Rb1 O8 66.05(6) 2_655 2_755 O12 Rb1 O8 105.87(5) 2_655 2_755 O2 Rb1 O8 126.09(5) 2_655 2_755 O2 Rb2 O2 137.67(4) . 4_566 O2 Rb2 O3 96.04(6) . 2_655 O2 Rb2 O3 124.07(6) 4_566 2_655 O2 Rb2 O14 84.59(6) . . O2 Rb2 O14 72.74(6) 4_566 . O3 Rb2 O14 105.89(6) 2_655 . O2 Rb2 O12 67.28(6) . . O2 Rb2 O12 80.62(6) 4_566 . O3 Rb2 O12 149.82(6) 2_655 . O14 Rb2 O12 97.64(6) . . O2 Rb2 O1 142.56(6) . 2_655 O2 Rb2 O1 78.38(6) 4_566 2_655 O3 Rb2 O1 55.64(5) 2_655 2_655 O14 Rb2 O1 123.83(6) . 2_655 O12 Rb2 O1 123.90(5) . 2_655 O2 Rb2 O1 147.51(6) . 4_566 O2 Rb2 O1 52.95(6) 4_566 4_566 O3 Rb2 O1 73.72(5) 2_655 4_566 O14 Rb2 O1 69.48(6) . 4_566 O12 Rb2 O1 133.54(6) . 4_566 O1 Rb2 O1 54.69(7) 2_655 4_566 O2 Rb2 O6 92.05(6) . 2_655 O2 Rb2 O6 120.71(6) 4_566 2_655 O3 Rb2 O6 54.70(6) 2_655 2_655 O14 Rb2 O6 159.94(6) . 2_655 O12 Rb2 O6 99.27(6) . 2_655 O1 Rb2 O6 52.54(6) 2_655 2_655 O1 Rb2 O6 105.52(6) 4_566 2_655 O2 Rb2 O5 53.90(5) . . O2 Rb2 O5 84.47(5) 4_566 . O3 Rb2 O5 139.43(5) 2_655 . O14 Rb2 O5 51.20(5) . . O12 Rb2 O5 49.77(5) . . O1 Rb2 O5 162.70(5) 2_655 . O1 Rb2 O5 115.53(5) 4_566 . O6 Rb2 O5 138.87(6) 2_655 . O8 Rb3 O9 96.88(6) 4_465 3_655 O8 Rb3 O8 139.34(4) 4_465 1_455 O9 Rb3 O8 123.55(6) 3_655 1_455 O8 Rb3 O15 63.41(6) 4_465 4_465 O9 Rb3 O15 153.25(6) 3_655 4_465 O8 Rb3 O15 76.83(7) 1_455 4_465 O8 Rb3 O10 102.79(7) 4_465 4_565 O9 Rb3 O10 117.54(7) 3_655 4_565 O8 Rb3 O10 64.47(7) 1_455 4_565 O15 Rb3 O10 85.87(7) 4_465 4_565 O8 Rb3 O7 144.07(6) 4_465 3_655 O9 Rb3 O7 55.03(6) 3_655 3_655 O8 Rb3 O7 73.69(6) 1_455 3_655 O15 Rb3 O7 150.05(6) 4_465 3_655 O10 Rb3 O7 76.85(6) 4_565 3_655 O8 Rb3 O7 147.57(6) 4_465 1_455 O9 Rb3 O7 77.32(6) 3_655 1_455 O8 Rb3 O7 53.29(6) 1_455 1_455 O15 Rb3 O7 109.05(6) 4_465 1_455 O10 Rb3 O7 108.18(6) 4_565 1_455 O7 Rb3 O7 55.67(7) 3_655 1_455 O8 Rb3 O14 92.53(6) 4_465 4_465 O9 Rb3 O14 113.85(6) 3_655 4_465 O8 Rb3 O14 68.80(6) 1_455 4_465 O15 Rb3 O14 53.55(6) 4_465 4_465 O10 Rb3 O14 123.56(7) 4_565 4_465 O7 Rb3 O14 118.01(6) 3_655 4_465 O7 Rb3 O14 62.37(6) 1_455 4_465 O8 Rb3 O13 73.64(7) 4_465 1_454 O9 Rb3 O13 63.86(6) 3_655 1_454 O8 Rb3 O13 117.89(6) 1_455 1_454 O15 Rb3 O13 92.03(6) 4_465 1_454 O10 Rb3 O13 176.40(6) 4_565 1_454 O7 Rb3 O13 106.27(6) 3_655 1_454 O7 Rb3 O13 75.27(6) 1_455 1_454 O14 Rb3 O13 56.80(6) 4_465 1_454 O1 Mo1 O2 103.51(10) . . O1 Mo1 O3 104.25(9) . . O2 Mo1 O3 102.71(10) . . O1 Mo1 O4 98.88(9) . . O2 Mo1 O4 100.06(10) . . O3 Mo1 O4 142.48(9) . . O1 Mo1 O5 157.90(9) . . O2 Mo1 O5 97.86(9) . . O3 Mo1 O5 76.05(8) . . O4 Mo1 O5 71.58(8) . . O1 Mo1 O6 78.99(9) . . O2 Mo1 O6 176.37(10) . . O3 Mo1 O6 79.04(8) . . O4 Mo1 O6 76.86(8) . . O5 Mo1 O6 79.41(8) . . O7 Mo2 O8 105.75(11) . . O7 Mo2 O9 104.39(10) . . O8 Mo2 O9 109.66(11) . . O7 Mo2 O4 107.06(9) . . O8 Mo2 O4 111.02(10) . . O9 Mo2 O4 118.01(9) . . O10 Mo3 O6 110.50(13) . 3_656 O10 Mo3 O11 110.09(13) . . O6 Mo3 O11 109.90(11) 3_656 . O10 Mo3 O12 107.86(11) . . O6 Mo3 O12 109.49(10) 3_656 . O11 Mo3 O12 108.96(10) . . O13 Mo4 O14 106.41(12) . . O13 Mo4 O15 105.31(11) . . O14 Mo4 O15 106.34(11) . . O13 Mo4 O5 103.21(11) . . O14 Mo4 O5 108.60(11) . . O15 Mo4 O5 125.56(9) . . O13 Mo4 O4 162.92(10) . . O14 Mo4 O4 90.16(9) . . O15 Mo4 O4 72.98(8) . . O5 Mo4 O4 66.60(7) . . O5 Fe1 O5 180.00(12) 3_656 . O5 Fe1 O3 79.57(8) 3_656 3_656 O5 Fe1 O3 100.43(8) . 3_656 O5 Fe1 O3 100.43(8) 3_656 . O5 Fe1 O3 79.57(8) . . O3 Fe1 O3 180.0 3_656 . O5 Fe1 O12 89.32(8) 3_656 . O5 Fe1 O12 90.68(8) . . O3 Fe1 O12 91.05(8) 3_656 . O3 Fe1 O12 88.95(8) . . O5 Fe1 O12 90.68(8) 3_656 3_656 O5 Fe1 O12 89.32(8) . 3_656 O3 Fe1 O12 88.95(8) 3_656 3_656 O3 Fe1 O12 91.05(8) . 3_656 O12 Fe1 O12 180.0 . 3_656 O15 Fe2 O15 180.0 1_455 3_656 O15 Fe2 O9 94.83(9) 1_455 3_656 O15 Fe2 O9 85.17(9) 3_656 3_656 O15 Fe2 O9 85.17(9) 1_455 1_455 O15 Fe2 O9 94.83(9) 3_656 1_455 O9 Fe2 O9 180.0 3_656 1_455 O15 Fe2 O11 91.55(10) 1_455 . O15 Fe2 O11 88.45(9) 3_656 . O9 Fe2 O11 90.54(9) 3_656 . O9 Fe2 O11 89.46(9) 1_455 . O15 Fe2 O11 88.45(9) 1_455 3_556 O15 Fe2 O11 91.55(10) 3_656 3_556 O9 Fe2 O11 89.46(9) 3_656 3_556 O9 Fe2 O11 90.54(9) 1_455 3_556 O11 Fe2 O11 180.00(13) . 3_556 Mo1 O1 Rb1 155.35(11) . 4_565 Mo1 O1 Rb2 97.65(8) . 2_645 Rb1 O1 Rb2 94.92(6) 4_565 2_645 Mo1 O1 Rb2 98.45(9) . 4_565 Rb1 O1 Rb2 91.36(6) 4_565 4_565 Rb2 O1 Rb2 125.31(7) 2_645 4_565 Mo1 O2 Rb2 124.33(11) . . Mo1 O2 Rb2 104.91(9) . 4_565 Rb2 O2 Rb2 128.37(8) . 4_565 Mo1 O2 Rb1 93.07(9) . 2_645 Rb2 O2 Rb1 102.60(6) . 2_645 Rb2 O2 Rb1 88.06(6) 4_565 2_645 Mo1 O3 Fe1 109.10(9) . . Mo1 O3 Rb2 98.96(8) . 2_645 Fe1 O3 Rb2 136.46(9) . 2_645 Mo1 O3 Rb1 106.08(8) . 2_645 Fe1 O3 Rb1 108.70(8) . 2_645 Rb2 O3 Rb1 94.02(5) 2_645 2_645 Mo2 O4 Mo1 132.83(11) . . Mo2 O4 Mo4 110.60(9) . . Mo1 O4 Mo4 102.52(8) . . Mo4 O5 Fe1 147.74(11) . . Mo4 O5 Mo1 117.66(9) . . Fe1 O5 Mo1 94.59(8) . . Mo4 O5 Rb2 85.55(7) . . Fe1 O5 Rb2 99.73(7) . . Mo1 O5 Rb2 83.55(6) . . Mo3 O6 Mo1 119.75(11) 3_656 . Mo3 O6 Rb2 113.88(11) 3_656 2_645 Mo1 O6 Rb2 79.40(6) . 2_645 Mo2 O7 Rb1 153.10(11) . 4_565 Mo2 O7 Rb3 95.68(9) . 3_655 Rb1 O7 Rb3 96.08(7) 4_565 3_655 Mo2 O7 Rb3 95.11(9) . 1_655 Rb1 O7 Rb3 98.05(6) 4_565 1_655 Rb3 O7 Rb3 124.33(7) 3_655 1_655 Mo2 O8 Rb3 118.38(10) . 4_666 Mo2 O8 Rb3 105.05(10) . 1_655 Rb3 O8 Rb3 129.20(8) 4_666 1_655 Mo2 O8 Rb1 101.59(10) . 2_745 Rb3 O8 Rb1 106.76(7) 4_666 2_745 Rb3 O8 Rb1 87.77(6) 1_655 2_745 Mo2 O9 Fe2 117.24(11) . 1_655 Mo2 O9 Rb3 104.86(8) . 3_655 Fe2 O9 Rb3 136.69(10) 1_655 3_655 Mo3 O10 Rb1 147.19(15) . 3_666 Mo3 O10 Rb3 116.50(13) . 4_566 Rb1 O10 Rb3 94.98(7) 3_666 4_566 Mo3 O11 Fe2 139.97(13) . . Mo3 O11 Rb1 99.46(8) . 2_645 Fe2 O11 Rb1 120.56(9) . 2_645 Mo3 O12 Fe1 122.89(11) . . Mo3 O12 Rb2 112.64(9) . . Fe1 O12 Rb2 119.80(8) . . Mo3 O12 Rb1 92.42(8) . 2_645 Fe1 O12 Rb1 97.62(7) . 2_645 Rb2 O12 Rb1 101.65(6) . 2_645 Mo4 O13 Rb1 122.52(12) . 4_566 Mo4 O13 Rb3 121.83(12) . 1_656 Rb1 O13 Rb3 91.99(7) 4_566 1_656 Mo4 O14 Rb2 113.59(11) . . Mo4 O14 Rb3 95.11(9) . 4_666 Rb2 O14 Rb3 140.51(8) . 4_666 Mo4 O15 Fe2 125.15(11) . 1_655 Mo4 O15 Rb3 104.84(9) . 4_666 Fe2 O15 Rb3 128.70(9) 1_655 4_666 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Rb1 O7 2.814(2) 4_566 Rb1 O10 2.917(3) 3_666 Rb1 O13 2.931(2) 4_565 Rb1 O1 2.989(2) 4_566 Rb1 O3 3.018(2) 2_655 Rb1 O11 3.112(2) 2_655 Rb1 O12 3.319(2) 2_655 Rb1 O2 3.459(2) 2_655 Rb1 O8 3.471(2) 2_755 Rb2 O2 2.846(2) . Rb2 O2 2.932(2) 4_566 Rb2 O3 2.942(2) 2_655 Rb2 O14 2.970(2) . Rb2 O12 3.044(2) . Rb2 O1 3.061(2) 2_655 Rb2 O1 3.103(2) 4_566 Rb2 O6 3.204(2) 2_655 Rb2 O5 3.643(2) . Rb3 O8 2.840(2) 4_465 Rb3 O9 2.841(2) 3_655 Rb3 O8 2.909(2) 1_455 Rb3 O15 2.947(2) 4_465 Rb3 O10 3.106(3) 4_565 Rb3 O7 3.151(2) 3_655 Rb3 O7 3.180(2) 1_455 Rb3 O14 3.303(2) 4_465 Rb3 O13 3.356(3) 1_454 Mo1 O1 1.714(2) . Mo1 O2 1.717(2) . Mo1 O3 1.8357(19) . Mo1 O4 1.993(2) . Mo1 O5 2.267(2) . Mo1 O6 2.535(3) . Mo2 O7 1.716(2) . Mo2 O8 1.722(2) . Mo2 O9 1.803(2) . Mo2 O4 1.8703(19) . Mo3 O10 1.715(2) . Mo3 O6 1.750(2) 3_656 Mo3 O11 1.791(2) . Mo3 O12 1.792(2) . Mo4 O13 1.701(2) . Mo4 O14 1.705(2) . Mo4 O15 1.833(2) . Mo4 O5 1.890(2) . Mo4 O4 2.553(2) . Fe1 O5 1.9823(19) 3_656 Fe1 O5 1.9823(19) . Fe1 O3 2.0034(19) 3_656 Fe1 O3 2.0034(19) . Fe1 O12 2.046(2) . Fe1 O12 2.046(2) 3_656 Fe2 O15 1.971(2) 1_455 Fe2 O15 1.971(2) 3_656 Fe2 O9 1.998(2) 3_656 Fe2 O9 1.998(2) 1_455 Fe2 O11 2.038(2) . Fe2 O11 2.038(2) 3_556 O1 Rb1 2.989(2) 4_565 O1 Rb2 3.061(2) 2_645 O1 Rb2 3.103(2) 4_565 O2 Rb2 2.932(2) 4_565 O2 Rb1 3.459(2) 2_645 O3 Rb2 2.942(2) 2_645 O3 Rb1 3.018(2) 2_645 O6 Mo3 1.750(2) 3_656 O6 Rb2 3.204(2) 2_645 O7 Rb1 2.814(2) 4_565 O7 Rb3 3.151(2) 3_655 O7 Rb3 3.180(2) 1_655 O8 Rb3 2.840(2) 4_666 O8 Rb3 2.909(2) 1_655 O8 Rb1 3.471(2) 2_745 O9 Fe2 1.998(2) 1_655 O9 Rb3 2.841(2) 3_655 O10 Rb1 2.917(3) 3_666 O10 Rb3 3.106(3) 4_566 O11 Rb1 3.112(2) 2_645 O12 Rb1 3.319(2) 2_645 O13 Rb1 2.931(2) 4_566 O13 Rb3 3.356(3) 1_656 O14 Rb3 3.303(2) 4_666 O15 Fe2 1.971(2) 1_655 O15 Rb3 2.947(2) 4_666