#------------------------------------------------------------------------------
#$Date: 2019-12-26 21:44:39 +0200 (Thu, 26 Dec 2019) $
#$Revision: 246115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/18/2021897.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021897
loop_
_publ_author_name
'Federicci, Rémi'
'Baptiste, Benoit'
'Finocchi, Fabio'
'Popa, Florin'
'Brohan, Luc'
'Béneut, Keevin'
'Giura, Paola'
'Rousse, Gwenaëlle'
'Descamps-Mandine, Armel'
'Douillard, Thierry'
'Shukla, Abhay'
'Leridon, Brigitte'
_publ_section_title
;
 The crystal structure of Rb2Ti2O5 
;
_journal_coeditor_code           DK5058SUP1
_journal_issue                   6
_journal_name_full
'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials'
_journal_page_first              1142
_journal_paper_doi               10.1107/S2052520617013646
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         '0.5(O10 Rb4 Ti4)'
_chemical_formula_sum            'O5 Rb2 Ti2'
_chemical_formula_weight         346.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_atom_sites_solution_primary     direct
_audit_creation_date             2016-03-30
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 100.298(11)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.3419(12)
_cell_length_b                   3.8198(5)
_cell_length_c                   7.0103(8)
_cell_measurement_reflns_used    1105
_cell_measurement_temperature    400
_cell_measurement_theta_max      32.8780
_cell_measurement_theta_min      2.9310
_cell_volume                     298.82(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      400
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    0.17   65.17   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       26.0000  -94.4984  145.0028 65

#__ type_ start__ end____ width___ exp.time_
  2 phi   -360.01    9.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
 -12.3949   24.0000  -49.4975     -     369

#__ type_ start__ end____ width___ exp.time_
  3 omega  -33.32   62.68   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.0000   70.5022  -25.0020 96

#__ type_ start__ end____ width___ exp.time_
  4 phi    180.35  231.35   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
 -28.1615  -24.0000  140.4961     -     51
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and π scans'
_diffrn_orient_matrix_UB_11      0.0320926000
_diffrn_orient_matrix_UB_12      -0.0055720000
_diffrn_orient_matrix_UB_13      0.0965190000
_diffrn_orient_matrix_UB_21      -0.0424729000
_diffrn_orient_matrix_UB_22      -0.1196006000
_diffrn_orient_matrix_UB_23      0.0251053000
_diffrn_orient_matrix_UB_31      0.0347162000
_diffrn_orient_matrix_UB_32      -0.1419848000
_diffrn_orient_matrix_UB_33      -0.0249981000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1859
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         32.497
_diffrn_reflns_theta_min         2.953
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    18.796
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.854
_exptl_crystal_description       needle
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.821
_refine_diff_density_min         -1.628
_refine_diff_density_rms         0.228
_refine_ls_extinction_coef       0.0045(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         567
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0563P)²+1.1457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0918
_reflns_Friedel_coverage         0.000
_reflns_number_gt                511
_reflns_number_total             567
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            dk5058sup1.cif
_cod_data_source_block           III
_cod_database_code               2021897
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 92.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     32.42
_olex2_refinement_description
;
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Rb1 Rb 0.09888(5) 0.5000 0.84866(7) 0.0267(2) Uani 1 2 d S T P
Ti1 Ti 0.35256(6) 0.5000 0.58837(11) 0.0126(2) Uani 1 2 d S T P
O3 O 0.1780(3) 0.5000 0.4786(5) 0.0174(7) Uani 1 2 d S T P
O1 O 0.5000 0.5000 0.5000 0.0245(11) Uani 1 4 d S T P
O2 O 0.3763(4) 0.5000 0.8355(5) 0.0257(8) Uani 1 2 d S T 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'
Ti Ti 0.2776 0.4457 '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
Rb1 Rb1 Ti1 76.96(2) 5_567 3_455
Rb1 Rb1 Ti1 76.96(2) 5_567 3_445
Rb1 Rb1 O3 78.10(6) 5_567 5_566
Ti1 Rb1 Ti1 64.082(19) 3_445 3_455
O3 Rb1 Rb1 156.59(7) . 5_567
O3 Rb1 Ti1 32.216(11) 5_566 3_455
O3 Rb1 Ti1 83.25(5) . 3_445
O3 Rb1 Ti1 32.216(11) 5_566 3_445
O3 Rb1 Ti1 83.25(5) . 3_455
O3 Rb1 O3 78.49(9) . 5_566
O3 Rb1 O1 55.10(4) . 3_445
O3 Rb1 O1 55.10(4) . 3_455
O3 Rb1 O2 60.29(9) . .
O3 Rb1 O2 110.41(8) . 3_455
O3 Rb1 O2 110.41(8) . 3_445
O3 Rb1 O2 132.96(7) . 7_557
O3 Rb1 O2 132.96(7) . 7_567
O1 Rb1 Rb1 107.81(2) 3_445 5_567
O1 Rb1 Rb1 107.81(2) 3_455 5_567
O1 Rb1 Ti1 77.979(18) 3_455 3_445
O1 Rb1 Ti1 31.533(13) 3_455 3_455
O1 Rb1 Ti1 31.533(13) 3_445 3_445
O1 Rb1 Ti1 77.979(18) 3_445 3_455
O1 Rb1 O3 49.10(4) 3_455 5_566
O1 Rb1 O3 49.10(4) 3_445 5_566
O1 Rb1 O1 74.748(15) 3_445 3_455
O1 Rb1 O2 99.93(6) 3_455 3_445
O1 Rb1 O2 99.93(6) 3_445 3_455
O1 Rb1 O2 55.76(6) 3_445 3_445
O1 Rb1 O2 55.76(6) 3_455 3_455
O1 Rb1 O2 101.28(5) 3_445 .
O1 Rb1 O2 101.28(5) 3_455 .
O2 Rb1 Rb1 60.09(7) 7_557 5_567
O2 Rb1 Rb1 52.82(6) 3_455 5_567
O2 Rb1 Rb1 143.12(7) . 5_567
O2 Rb1 Rb1 52.82(6) 3_445 5_567
O2 Rb1 Rb1 60.09(7) 7_567 5_567
O2 Rb1 Ti1 76.22(5) 3_455 3_445
O2 Rb1 Ti1 28.27(7) 3_445 3_445
O2 Rb1 Ti1 89.91(6) 7_557 3_445
O2 Rb1 Ti1 28.27(7) 3_455 3_455
O2 Rb1 Ti1 134.21(8) 7_567 3_445
O2 Rb1 Ti1 76.22(5) 3_445 3_455
O2 Rb1 Ti1 132.13(5) . 3_455
O2 Rb1 Ti1 132.13(5) . 3_445
O2 Rb1 Ti1 134.21(8) 7_557 3_455
O2 Rb1 Ti1 89.91(6) 7_567 3_455
O2 Rb1 O3 50.85(7) 3_445 5_566
O2 Rb1 O3 50.85(7) 3_455 5_566
O2 Rb1 O3 116.65(8) 7_567 5_566
O2 Rb1 O3 138.77(9) . 5_566
O2 Rb1 O3 116.65(8) 7_557 5_566
O2 Rb1 O1 99.55(5) 7_567 3_455
O2 Rb1 O1 164.93(8) 7_567 3_445
O2 Rb1 O1 99.55(5) 7_557 3_445
O2 Rb1 O1 164.93(8) 7_557 3_455
O2 Rb1 O2 142.58(5) 3_455 .
O2 Rb1 O2 112.91(5) 7_567 3_445
O2 Rb1 O2 93.49(9) 7_557 .
O2 Rb1 O2 65.89(12) 7_557 3_445
O2 Rb1 O2 74.53(9) 3_445 3_455
O2 Rb1 O2 65.89(12) 7_567 3_455
O2 Rb1 O2 142.58(5) 3_445 .
O2 Rb1 O2 112.91(5) 7_557 3_455
O2 Rb1 O2 82.40(10) 7_567 7_557
O2 Rb1 O2 93.49(9) 7_567 .
Rb1 Ti1 Rb1 61.529(17) 7_556 7_566
Rb1 Ti1 Rb1 118.19(2) 3_545 7_566
Rb1 Ti1 Rb1 130.644(18) . 7_566
Rb1 Ti1 Rb1 85.962(18) 3 7_566
Rb1 Ti1 Rb1 85.962(18) 3_545 7_556
Rb1 Ti1 Rb1 64.082(19) 3 3_545
Rb1 Ti1 Rb1 130.644(18) . 7_556
Rb1 Ti1 Rb1 110.74(2) 3 .
Rb1 Ti1 Rb1 118.19(2) 3 7_556
Rb1 Ti1 Rb1 110.74(2) 3_545 .
Ti1 Ti1 Rb1 109.602(15) 7_556 3_545
Ti1 Ti1 Rb1 101.41(3) 7_566 7_556
Ti1 Ti1 Rb1 64.29(2) 7_556 7_556
Ti1 Ti1 Rb1 109.602(15) 7_566 3
Ti1 Ti1 Rb1 64.29(2) 7_566 7_566
Ti1 Ti1 Rb1 66.36(3) 7_556 .
Ti1 Ti1 Rb1 172.20(3) 7_556 3
Ti1 Ti1 Rb1 66.36(3) 7_566 .
Ti1 Ti1 Rb1 101.41(3) 7_556 7_566
Ti1 Ti1 Rb1 172.20(3) 7_566 3_545
Ti1 Ti1 Ti1 76.28(4) 7_556 7_566
O3 Ti1 Rb1 88.00(9) . 7_566
O3 Ti1 Rb1 135.90(9) 7_566 3_545
O3 Ti1 Rb1 89.90(10) 7_556 .
O3 Ti1 Rb1 50.07(10) 7_556 7_556
O3 Ti1 Rb1 135.90(9) 7_556 3
O3 Ti1 Rb1 72.29(9) 7_566 3
O3 Ti1 Rb1 50.07(10) 7_566 7_566
O3 Ti1 Rb1 89.90(10) 7_566 .
O3 Ti1 Rb1 88.00(9) . 7_556
O3 Ti1 Rb1 145.45(4) . 3_545
O3 Ti1 Rb1 51.62(10) . .
O3 Ti1 Rb1 110.10(11) 7_566 7_556
O3 Ti1 Rb1 145.45(4) . 3
O3 Ti1 Rb1 110.10(11) 7_556 7_566
O3 Ti1 Rb1 72.29(9) 7_556 3_545
O3 Ti1 Ti1 114.39(9) 7_566 7_556
O3 Ti1 Ti1 38.80(3) . 7_556
O3 Ti1 Ti1 114.39(9) 7_556 7_566
O3 Ti1 Ti1 38.80(3) . 7_566
O3 Ti1 Ti1 39.02(8) 7_556 7_556
O3 Ti1 Ti1 39.02(9) 7_566 7_566
O3 Ti1 O3 77.81(9) 7_556 .
O3 Ti1 O3 77.81(9) 7_566 .
O3 Ti1 O3 148.91(19) 7_556 7_566
O1 Ti1 Rb1 169.61(4) . .
O1 Ti1 Rb1 60.84(2) . 3_545
O1 Ti1 Rb1 57.35(2) . 7_566
O1 Ti1 Rb1 57.35(2) . 7_556
O1 Ti1 Rb1 60.84(2) . 3
O1 Ti1 Ti1 121.10(4) . 7_566
O1 Ti1 Ti1 121.10(4) . 7_556
O1 Ti1 O3 92.87(10) . 7_556
O1 Ti1 O3 138.78(11) . .
O1 Ti1 O3 92.87(10) . 7_566
O2 Ti1 Rb1 61.18(11) . 3
O2 Ti1 Rb1 144.50(7) . 7_566
O2 Ti1 Rb1 61.18(11) . 3_545
O2 Ti1 Rb1 59.36(14) . .
O2 Ti1 Rb1 144.50(7) . 7_556
O2 Ti1 Ti1 112.19(11) . 7_556
O2 Ti1 Ti1 112.19(11) . 7_566
O2 Ti1 O3 103.28(11) . 7_556
O2 Ti1 O3 110.97(17) . .
O2 Ti1 O3 103.28(11) . 7_566
O2 Ti1 O1 110.25(14) . .
Rb1 O3 Rb1 101.51(9) . 5_566
Ti1 O3 Rb1 98.23(11) 7_556 .
Ti1 O3 Rb1 75.49(9) 7_556 5_566
Ti1 O3 Rb1 75.49(9) 7_566 5_566
Ti1 O3 Rb1 98.23(11) 7_566 .
Ti1 O3 Rb1 162.77(16) . 5_566
Ti1 O3 Rb1 95.72(13) . .
Ti1 O3 Ti1 102.19(9) 7_566 .
Ti1 O3 Ti1 148.91(19) 7_556 7_566
Ti1 O3 Ti1 102.19(9) 7_556 .
Rb1 O1 Rb1 180.000(13) 7_556 3
Rb1 O1 Rb1 105.253(15) 3 7_566
Rb1 O1 Rb1 105.253(15) 7_556 3_545
Rb1 O1 Rb1 180.0 3_545 7_566
Rb1 O1 Rb1 74.747(15) 3 3_545
Rb1 O1 Rb1 74.747(15) 7_556 7_566
Ti1 O1 Rb1 92.37(2) . 7_556
Ti1 O1 Rb1 92.37(2) 5_666 3_545
Ti1 O1 Rb1 87.63(2) 5_666 7_556
Ti1 O1 Rb1 92.37(2) . 7_566
Ti1 O1 Rb1 92.37(2) 5_666 3
Ti1 O1 Rb1 87.63(2) . 3
Ti1 O1 Rb1 87.63(2) 5_666 7_566
Ti1 O1 Rb1 87.63(2) . 3_545
Ti1 O1 Ti1 180.0 5_666 .
Rb1 O2 Rb1 67.09(5) 7_567 3
Rb1 O2 Rb1 142.57(5) 3_545 .
Rb1 O2 Rb1 114.11(12) 7_567 3_545
Rb1 O2 Rb1 74.53(9) 3 3_545
Rb1 O2 Rb1 86.51(9) 7_557 .
Rb1 O2 Rb1 114.11(12) 7_557 3
Rb1 O2 Rb1 142.57(5) 3 .
Rb1 O2 Rb1 82.40(9) 7_567 7_557
Rb1 O2 Rb1 67.09(5) 7_557 3_545
Rb1 O2 Rb1 86.51(9) 7_567 .
Ti1 O2 Rb1 93.02(15) . .
Ti1 O2 Rb1 138.77(5) . 7_557
Ti1 O2 Rb1 90.56(13) . 3_545
Ti1 O2 Rb1 90.56(13) . 3
Ti1 O2 Rb1 138.77(5) . 7_567
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 Rb1 3.3518(10) 5_567
Rb1 Ti1 3.6000(9) 3_445
Rb1 Ti1 3.6000(9) 3_455
Rb1 O3 2.893(4) .
Rb1 O3 3.542(3) 5_566
Rb1 O1 3.1464(5) 3_455
Rb1 O1 3.1464(5) 3_445
Rb1 O2 3.154(3) 3_445
Rb1 O2 2.899(3) 7_567
Rb1 O2 3.164(4) .
Rb1 O2 2.899(3) 7_557
Rb1 O2 3.154(3) 3_455
Ti1 Rb1 3.6000(9) 3
Ti1 Rb1 3.7338(9) 7_556
Ti1 Rb1 3.7338(9) 7_566
Ti1 Rb1 3.6000(9) 3_545
Ti1 Ti1 3.0926(12) 7_566
Ti1 Ti1 3.0926(12) 7_556
Ti1 O3 1.9824(9) 7_556
Ti1 O3 1.992(3) .
Ti1 O3 1.9824(9) 7_566
Ti1 O1 1.8844(8) .
Ti1 O2 1.705(4) .
O3 Rb1 3.542(3) 5_566
O3 Ti1 1.9824(9) 7_566
O3 Ti1 1.9824(9) 7_556
O1 Rb1 3.1464(5) 3
O1 Rb1 3.1464(5) 7_566
O1 Rb1 3.1464(5) 3_545
O1 Rb1 3.1464(5) 7_556
O1 Ti1 1.8844(7) 5_666
O2 Rb1 3.154(3) 3_545
O2 Rb1 2.899(3) 7_557
O2 Rb1 3.154(3) 3
O2 Rb1 2.899(3) 7_567
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Rb1 Ti1 O1 Rb1 180.0 3 7_556
Rb1 Ti1 O1 Rb1 -105.178(16) 7_556 3_545
Rb1 Ti1 O1 Rb1 -142.589(8) . 7_566
Rb1 Ti1 O1 Rb1 -74.822(16) 3_545 3
Rb1 Ti1 O1 Rb1 142.589(8) . 7_556
Rb1 Ti1 O1 Rb1 180.0 7_556 3
Rb1 Ti1 O1 Rb1 105.178(16) 3_545 7_556
Rb1 Ti1 O1 Rb1 37.411(8) . 3_545
Rb1 Ti1 O1 Rb1 180.0 7_566 3_545
Rb1 Ti1 O1 Rb1 -37.411(8) . 3
Rb1 Ti1 O1 Rb1 -105.178(16) 3 7_566
Rb1 Ti1 O1 Rb1 180.0 3_545 7_566
Rb1 Ti1 O1 Rb1 105.178(16) 7_566 3
Rb1 Ti1 O1 Rb1 -74.822(16) 7_566 7_556
Rb1 Ti1 O1 Rb1 74.822(16) 3 3_545
Rb1 Ti1 O1 Rb1 74.822(16) 7_556 7_566
Rb1 Ti1 O2 Rb1 118.24(17) 7_566 .
Rb1 Ti1 O2 Rb1 30.1(4) 7_566 7_567
Rb1 Ti1 O2 Rb1 -99.03(13) 7_566 3_545
Rb1 Ti1 O2 Rb1 153.60(11) 7_556 7_567
Rb1 Ti1 O2 Rb1 129.1(3) 3_545 7_567
Rb1 Ti1 O2 Rb1 -54.6(2) 3_545 7_557
Rb1 Ti1 O2 Rb1 74.54(9) 3_545 3
Rb1 Ti1 O2 Rb1 88.2(3) . 7_557
Rb1 Ti1 O2 Rb1 -74.54(9) 3 3_545
Rb1 Ti1 O2 Rb1 -142.73(5) 3_545 .
Rb1 Ti1 O2 Rb1 24.5(2) 7_556 3_545
Rb1 Ti1 O2 Rb1 -24.5(2) 7_566 3
Rb1 Ti1 O2 Rb1 142.73(5) 3 .
Rb1 Ti1 O2 Rb1 54.6(2) 3 7_567
Rb1 Ti1 O2 Rb1 -118.24(17) 7_556 .
Rb1 Ti1 O2 Rb1 99.03(13) 7_556 3
Rb1 Ti1 O2 Rb1 -142.73(5) . 3
Rb1 Ti1 O2 Rb1 142.73(5) . 3_545
Rb1 Ti1 O2 Rb1 -129.1(3) 3 7_557
Rb1 Ti1 O2 Rb1 -153.60(11) 7_566 7_557
Rb1 Ti1 O2 Rb1 -88.2(3) . 7_567
Rb1 Ti1 O2 Rb1 -30.1(4) 7_556 7_557
Ti1 Ti1 O1 Rb1 83.57(4) 7_556 7_566
Ti1 Ti1 O1 Rb1 -83.57(4) 7_566 7_556
Ti1 Ti1 O1 Rb1 96.43(4) 7_566 3
Ti1 Ti1 O1 Rb1 -96.43(4) 7_556 3_545
Ti1 Ti1 O1 Rb1 171.26(4) 7_566 3_545
Ti1 Ti1 O1 Rb1 -8.74(4) 7_566 7_566
Ti1 Ti1 O1 Rb1 -171.26(4) 7_556 3
Ti1 Ti1 O1 Rb1 8.74(4) 7_556 7_556
Ti1 Ti1 O2 Rb1 175.43(3) 7_556 3
Ti1 Ti1 O2 Rb1 -100.90(9) 7_566 3
Ti1 Ti1 O2 Rb1 130.0(2) 7_566 7_557
Ti1 Ti1 O2 Rb1 41.83(5) 7_566 .
Ti1 Ti1 O2 Rb1 -175.43(3) 7_566 3_545
Ti1 Ti1 O2 Rb1 100.90(9) 7_556 3_545
Ti1 Ti1 O2 Rb1 -41.83(5) 7_556 .
Ti1 Ti1 O2 Rb1 46.3(3) 7_556 7_557
Ti1 Ti1 O2 Rb1 -130.0(2) 7_556 7_567
Ti1 Ti1 O2 Rb1 -46.3(3) 7_566 7_567
O3 Ti1 O1 Rb1 37.411(8) . 7_566
O3 Ti1 O1 Rb1 -142.69(10) 7_556 3
O3 Ti1 O1 Rb1 -142.589(8) . 3_545
O3 Ti1 O1 Rb1 37.31(10) 7_556 7_556
O3 Ti1 O1 Rb1 142.589(8) . 3
O3 Ti1 O1 Rb1 -37.411(8) . 7_556
O3 Ti1 O1 Rb1 -37.31(10) 7_566 7_566
O3 Ti1 O1 Rb1 142.69(10) 7_566 3_545
O3 Ti1 O1 Rb1 112.13(10) 7_556 7_566
O3 Ti1 O1 Rb1 67.87(10) 7_566 3
O3 Ti1 O1 Rb1 -67.87(10) 7_556 3_545
O3 Ti1 O1 Rb1 -112.13(10) 7_566 7_556
O3 Ti1 O2 Rb1 142.73(5) . 3_545
O3 Ti1 O2 Rb1 -135.42(10) 7_566 3_545
O3 Ti1 O2 Rb1 0.000(0) . .
O3 Ti1 O2 Rb1 -142.73(5) . 3
O3 Ti1 O2 Rb1 81.85(10) 7_566 .
O3 Ti1 O2 Rb1 -170.0(3) 7_556 7_567
O3 Ti1 O2 Rb1 -88.2(3) . 7_567
O3 Ti1 O2 Rb1 -6.3(3) 7_566 7_567
O3 Ti1 O2 Rb1 60.88(13) 7_556 3_545
O3 Ti1 O2 Rb1 170.0(3) 7_566 7_557
O3 Ti1 O2 Rb1 88.2(3) . 7_557
O3 Ti1 O2 Rb1 6.3(3) 7_556 7_557
O3 Ti1 O2 Rb1 -81.85(10) 7_556 .
O3 Ti1 O2 Rb1 -60.88(13) 7_566 3
O3 Ti1 O2 Rb1 135.42(10) 7_556 3
O1 Ti1 O2 Rb1 -37.27(5) . 3_545
O1 Ti1 O2 Rb1 180.000(0) . .
O1 Ti1 O2 Rb1 37.27(5) . 3
O1 Ti1 O2 Rb1 91.8(3) . 7_567
O1 Ti1 O2 Rb1 -91.8(3) . 7_557
O2 Ti1 O1 Rb1 -142.589(8) . 7_566
O2 Ti1 O1 Rb1 37.411(8) . 3_545
O2 Ti1 O1 Rb1 -37.411(8) . 3
O2 Ti1 O1 Rb1 142.589(8) . 7_556
