#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:34:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179507 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/04/4340485.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_4340485
loop_
_publ_author_name
'Ward, Matthew D.'
'Mesbah, Adel'
'Lee, Minseong'
'Malliakas, Christos D.'
'Choi, Eun Sang'
'Ibers, James A.'
_publ_section_title
;
 Synthesis and Characterization of Two Quaternary Uranium Tellurides,
 RbTiU3Te9 and CsTiU3Te9.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7909
_journal_paper_doi               10.1021/ic500599d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'Te9 Ti U3, Rb'
_chemical_formula_sum            'Rb Te9 Ti U3'
_chemical_formula_weight         1995.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.733(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2162(5)
_cell_length_b                   6.0972(3)
_cell_length_c                   17.4071(12)
_cell_measurement_reflns_used    3731
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.48
_cell_measurement_theta_min      2.50
_cell_volume                     866.01(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008a)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15364
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    46.027
_exptl_absorpt_correction_T_max  0.3815
_exptl_absorpt_correction_T_min  0.1254
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed, SADABS (Sheldrick, 2008b)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1606
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         6.104
_refine_diff_density_min         -2.889
_refine_diff_density_rms         0.624
_refine_ls_extinction_coef       0.00073(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         2867
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0307
_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)+(0.0458P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                2289
_reflns_number_total             2867
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500599d_si_001.cif
_cod_data_source_block           RbTiU3Te9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 4340485--4340486.cif.
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4340485
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
U1 U 0.04624(6) 0.2500 0.18669(3) 0.00864(12) Uani 1 2 d S
U2 U 0.10275(6) 0.2500 0.40750(3) 0.00680(12) Uani 1 2 d S
U3 U 0.60008(6) 0.2500 0.40250(3) 0.00722(12) Uani 1 2 d S
Te1 Te 0.17023(7) 0.00003(8) 0.70002(4) 0.00724(14) Uani 1 1 d .
Te2 Te 0.32052(7) 0.00018(8) 0.29925(4) 0.00697(14) Uani 1 1 d .
Te3 Te 0.27040(10) 0.2500 0.06249(6) 0.00910(18) Uani 1 2 d S
Te4 Te 0.38808(10) 0.2500 0.53825(5) 0.00682(18) Uani 1 2 d S
Te5 Te 0.76043(10) 0.2500 0.06242(6) 0.00923(18) Uani 1 2 d S
Te6 Te 0.88024(10) 0.2500 0.53583(5) 0.00662(17) Uani 1 2 d S
Te7 Te 0.96640(10) 0.2500 0.86386(5) 0.00854(18) Uani 1 2 d S
Rb1 Rb 0.46754(16) 0.2500 0.87223(9) 0.0157(3) Uani 1 2 d S
Ti1 Ti 0.0000 0.0000 0.0000 0.0080(5) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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'
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
Te3 U1 Te5 88.58(3) . 1_455
Te3 U1 Te7 78.634(19) . 3_656
Te5 U1 Te7 78.613(19) 1_455 3_656
Te3 U1 Te7 78.634(19) . 3_666
Te5 U1 Te7 78.613(19) 1_455 3_666
Te7 U1 Te7 148.01(4) 3_656 3_666
Te3 U1 Te1 151.452(10) . 2_556
Te5 U1 Te1 89.98(2) 1_455 2_556
Te7 U1 Te1 128.88(2) 3_656 2_556
Te7 U1 Te1 73.139(19) 3_666 2_556
Te3 U1 Te1 151.452(10) . 3_556
Te5 U1 Te1 89.98(2) 1_455 3_556
Te7 U1 Te1 73.139(19) 3_656 3_556
Te7 U1 Te1 128.88(2) 3_666 3_556
Te1 U1 Te1 57.03(2) 2_556 3_556
Te3 U1 Te2 89.63(2) . 4_565
Te5 U1 Te2 151.463(10) 1_455 4_565
Te7 U1 Te2 128.79(2) 3_656 4_565
Te7 U1 Te2 73.117(19) 3_666 4_565
Te1 U1 Te2 78.319(18) 2_556 4_565
Te1 U1 Te2 104.65(2) 3_556 4_565
Te3 U1 Te2 89.63(2) . .
Te5 U1 Te2 151.463(10) 1_455 .
Te7 U1 Te2 73.117(19) 3_656 .
Te7 U1 Te2 128.79(2) 3_666 .
Te1 U1 Te2 104.65(2) 2_556 .
Te1 U1 Te2 78.319(18) 3_556 .
Te2 U1 Te2 56.96(2) 4_565 .
Te3 U1 Ti1 49.656(16) . .
Te5 U1 Ti1 49.670(16) 1_455 .
Te7 U1 Ti1 48.723(17) 3_656 .
Te7 U1 Ti1 99.29(2) 3_666 .
Te1 U1 Ti1 139.337(18) 2_556 .
Te1 U1 Ti1 110.537(13) 3_556 .
Te2 U1 Ti1 138.964(19) 4_565 .
Te2 U1 Ti1 110.303(14) . .
Te3 U1 Ti1 49.656(16) . 2
Te5 U1 Ti1 49.670(16) 1_455 2
Te7 U1 Ti1 99.29(2) 3_656 2
Te7 U1 Ti1 48.723(17) 3_666 2
Te1 U1 Ti1 110.537(13) 2_556 2
Te1 U1 Ti1 139.337(18) 3_556 2
Te2 U1 Ti1 110.303(14) 4_565 2
Te2 U1 Ti1 138.965(19) . 2
Ti1 U1 Ti1 50.563(8) . 2
Te3 U1 U2 135.50(2) . .
Te5 U1 U2 135.93(2) 1_455 .
Te7 U1 U2 105.995(19) 3_656 .
Te7 U1 U2 105.995(19) 3_666 .
Te1 U1 U2 52.340(14) 2_556 .
Te1 U1 U2 52.340(14) 3_556 .
Te2 U1 U2 52.306(14) 4_565 .
Te2 U1 U2 52.306(14) . .
Ti1 U1 U2 154.718(4) . .
Ti1 U1 U2 154.718(4) 2 .
Te6 U2 Te4 85.88(3) 1_455 .
Te6 U2 Te2 150.766(11) 1_455 .
Te4 U2 Te2 90.32(2) . .
Te6 U2 Te2 150.766(11) 1_455 4_565
Te4 U2 Te2 90.32(2) . 4_565
Te2 U2 Te2 58.03(2) . 4_565
Te6 U2 Te1 89.37(2) 1_455 3_556
Te4 U2 Te1 150.610(11) . 3_556
Te2 U2 Te1 79.884(17) . 3_556
Te2 U2 Te1 107.16(2) 4_565 3_556
Te6 U2 Te1 89.37(2) 1_455 2_556
Te4 U2 Te1 150.610(11) . 2_556
Te2 U2 Te1 107.16(2) . 2_556
Te2 U2 Te1 79.884(17) 4_565 2_556
Te1 U2 Te1 58.05(2) 3_556 2_556
Te6 U2 Te6 77.437(18) 1_455 3_666
Te4 U2 Te6 76.684(18) . 3_666
Te2 U2 Te6 129.73(2) . 3_666
Te2 U2 Te6 73.486(19) 4_565 3_666
Te1 U2 Te6 130.37(2) 3_556 3_666
Te1 U2 Te6 73.974(19) 2_556 3_666
Te6 U2 Te6 77.437(18) 1_455 3_656
Te4 U2 Te6 76.684(18) . 3_656
Te2 U2 Te6 73.485(19) . 3_656
Te2 U2 Te6 129.73(2) 4_565 3_656
Te1 U2 Te6 73.974(19) 3_556 3_656
Te1 U2 Te6 130.37(2) 2_556 3_656
Te6 U2 Te6 144.36(4) 3_666 3_656
Te6 U2 U1 136.50(2) 1_455 .
Te4 U2 U1 137.62(2) . .
Te2 U2 U1 53.589(14) . .
Te2 U2 U1 53.588(14) 4_565 .
Te1 U2 U1 53.569(15) 3_556 .
Te1 U2 U1 53.569(15) 2_556 .
Te6 U2 U1 107.816(19) 3_666 .
Te6 U2 U1 107.816(19) 3_656 .
Te6 U2 U3 134.50(2) 1_455 .
Te4 U2 U3 48.623(18) . .
Te2 U2 U3 49.268(13) . .
Te2 U2 U3 49.268(13) 4_565 .
Te1 U2 U3 129.147(16) 3_556 .
Te1 U2 U3 129.147(16) 2_556 .
Te6 U2 U3 89.940(17) 3_666 .
Te6 U2 U3 89.940(17) 3_656 .
U1 U2 U3 88.995(14) . .
Te6 U3 Te4 82.07(2) . .
Te6 U3 Te2 149.968(12) . .
Te4 U3 Te2 89.86(2) . .
Te6 U3 Te2 149.969(12) . 4_565
Te4 U3 Te2 89.86(2) . 4_565
Te2 U3 Te2 58.04(2) . 4_565
Te6 U3 Te1 88.99(2) . 2_656
Te4 U3 Te1 149.686(13) . 2_656
Te2 U3 Te1 111.00(2) . 2_656
Te2 U3 Te1 83.526(18) 4_565 2_656
Te6 U3 Te1 88.99(2) . 3_656
Te4 U3 Te1 149.686(12) . 3_656
Te2 U3 Te1 83.526(18) . 3_656
Te2 U3 Te1 111.00(2) 4_565 3_656
Te1 U3 Te1 58.09(2) 2_656 3_656
Te6 U3 Te4 76.458(18) . 3_666
Te4 U3 Te4 75.746(18) . 3_666
Te2 U3 Te4 129.50(2) . 3_666
Te2 U3 Te4 73.520(19) 4_565 3_666
Te1 U3 Te4 74.005(19) 2_656 3_666
Te1 U3 Te4 130.15(2) 3_656 3_666
Te6 U3 Te4 76.458(18) . 3_656
Te4 U3 Te4 75.746(18) . 3_656
Te2 U3 Te4 73.519(19) . 3_656
Te2 U3 Te4 129.50(2) 4_565 3_656
Te1 U3 Te4 130.15(2) 2_656 3_656
Te1 U3 Te4 74.005(19) 3_656 3_656
Te4 U3 Te4 142.85(4) 3_666 3_656
Te6 U3 U2 130.16(2) . .
Te4 U3 U2 48.085(18) . .
Te2 U3 U2 49.285(13) . .
Te2 U3 U2 49.286(13) 4_565 .
Te1 U3 U2 132.798(16) 2_656 .
Te1 U3 U2 132.798(16) 3_656 .
Te4 U3 U2 89.194(17) 3_666 .
Te4 U3 U2 89.194(17) 3_656 .
Te1 Te1 Te1 180.0 4_565 4
Te1 Te1 U3 119.046(10) 4_565 3_656
Te1 Te1 U3 60.955(10) 4 3_656
Te1 Te1 U2 119.023(10) 4_565 3_556
Te1 Te1 U2 60.977(10) 4 3_556
U3 Te1 U2 81.982(18) 3_656 3_556
Te1 Te1 U1 118.514(10) 4_565 3_556
Te1 Te1 U1 61.485(10) 4 3_556
U3 Te1 U1 122.310(17) 3_656 3_556
U2 Te1 U1 74.091(17) 3_556 3_556
Te1 Te1 Rb1 67.270(11) 4_565 .
Te1 Te1 Rb1 112.730(11) 4 .
U3 Te1 Rb1 105.04(2) 3_656 .
U2 Te1 Rb1 167.25(3) 3_556 .
U1 Te1 Rb1 93.17(3) 3_556 .
Te2 Te2 Te2 180.0 4_565 4
Te2 Te2 U3 60.979(10) 4_565 .
Te2 Te2 U3 119.022(10) 4 .
Te2 Te2 U2 60.987(10) 4_565 .
Te2 Te2 U2 119.014(10) 4 .
U3 Te2 U2 81.447(17) . .
Te2 Te2 U1 61.517(10) 4_565 .
Te2 Te2 U1 118.481(10) 4 .
U3 Te2 U1 122.409(17) . .
U2 Te2 U1 74.106(17) . .
Te2 Te2 Rb1 112.805(11) 4_565 3_656
Te2 Te2 Rb1 67.194(11) 4 3_656
U3 Te2 Rb1 105.26(2) . 3_656
U2 Te2 Rb1 167.68(3) . 3_656
U1 Te2 Rb1 93.59(3) . 3_656
Ti1 Te3 Ti1 65.798(19) . 2
Ti1 Te3 U1 75.78(2) . .
Ti1 Te3 U1 75.78(2) 2 .
Ti1 Te3 Rb1 160.05(3) . 3_666
Ti1 Te3 Rb1 94.282(17) 2 3_666
U1 Te3 Rb1 99.07(3) . 3_666
Ti1 Te3 Rb1 94.282(17) . 3_656
Ti1 Te3 Rb1 160.05(3) 2 3_656
U1 Te3 Rb1 99.07(3) . 3_656
Rb1 Te3 Rb1 105.61(4) 3_666 3_656
Ti1 Te3 Rb1 93.46(3) . 1_554
Ti1 Te3 Rb1 93.46(3) 2 1_554
U1 Te3 Rb1 167.11(4) . 1_554
Rb1 Te3 Rb1 88.66(3) 3_666 1_554
Rb1 Te3 Rb1 88.66(3) 3_656 1_554
U2 Te4 U3 83.29(3) . .
U2 Te4 U3 103.269(18) . 3_666
U3 Te4 U3 104.256(18) . 3_666
U2 Te4 U3 103.269(18) . 3_656
U3 Te4 U3 104.256(18) . 3_656
U3 Te4 U3 142.84(4) 3_666 3_656
Ti1 Te5 Ti1 65.777(19) 2_655 1_655
Ti1 Te5 U1 75.76(2) 2_655 1_655
Ti1 Te5 U1 75.76(2) 1_655 1_655
Ti1 Te5 Rb1 159.89(3) 2_655 3_656
Ti1 Te5 Rb1 94.154(17) 1_655 3_656
U1 Te5 Rb1 98.91(3) 1_655 3_656
Ti1 Te5 Rb1 94.154(17) 2_655 3_666
Ti1 Te5 Rb1 159.89(3) 1_655 3_666
U1 Te5 Rb1 98.91(3) 1_655 3_666
Rb1 Te5 Rb1 105.87(4) 3_656 3_666
Ti1 Te5 Rb1 93.61(3) 2_655 1_554
Ti1 Te5 Rb1 93.61(3) 1_655 1_554
U1 Te5 Rb1 167.27(4) 1_655 1_554
Rb1 Te5 Rb1 88.70(3) 3_656 1_554
Rb1 Te5 Rb1 88.70(3) 3_666 1_554
U2 Te6 U3 84.66(3) 1_655 .
U2 Te6 U2 102.562(18) 1_655 3_666
U3 Te6 U2 103.565(18) . 3_666
U2 Te6 U2 102.562(18) 1_655 3_656
U3 Te6 U2 103.565(18) . 3_656
U2 Te6 U2 144.36(4) 3_666 3_656
Ti1 Te7 Ti1 65.86(2) 2_656 1_656
Ti1 Te7 U1 138.93(3) 2_656 3_656
Ti1 Te7 U1 73.065(12) 1_656 3_656
Ti1 Te7 U1 73.065(12) 2_656 3_666
Ti1 Te7 U1 138.93(3) 1_656 3_666
U1 Te7 U1 148.01(4) 3_656 3_666
Ti1 Te7 Rb1 88.34(3) 2_656 1_655
Ti1 Te7 Rb1 88.34(3) 1_656 1_655
U1 Te7 Rb1 90.570(18) 3_656 1_655
U1 Te7 Rb1 90.570(18) 3_666 1_655
Ti1 Te7 Rb1 88.27(3) 2_656 .
Ti1 Te7 Rb1 88.27(3) 1_656 .
U1 Te7 Rb1 90.543(18) 3_656 .
U1 Te7 Rb1 90.543(18) 3_666 .
Rb1 Te7 Rb1 175.96(5) 1_655 .
Te5 Rb1 Te5 105.87(4) 3_656 3_666
Te5 Rb1 Te3 145.65(5) 3_656 3_666
Te5 Rb1 Te3 63.536(16) 3_666 3_666
Te5 Rb1 Te3 63.536(16) 3_656 3_656
Te5 Rb1 Te3 145.65(5) 3_666 3_656
Te3 Rb1 Te3 105.61(4) 3_666 3_656
Te5 Rb1 Te3 58.26(2) 3_656 1_556
Te5 Rb1 Te3 58.26(2) 3_666 1_556
Te3 Rb1 Te3 91.34(3) 3_666 1_556
Te3 Rb1 Te3 91.34(3) 3_656 1_556
Te5 Rb1 Te5 91.30(3) 3_656 1_556
Te5 Rb1 Te5 91.30(3) 3_666 1_556
Te3 Rb1 Te5 58.17(2) 3_666 1_556
Te3 Rb1 Te5 58.17(2) 3_656 1_556
Te3 Rb1 Te5 62.95(3) 1_556 1_556
Te5 Rb1 Te2 101.098(19) 3_656 3_656
Te5 Rb1 Te2 144.20(3) 3_666 3_656
Te3 Rb1 Te2 104.50(3) 3_666 3_656
Te3 Rb1 Te2 68.46(2) 3_656 3_656
Te3 Rb1 Te2 156.897(14) 1_556 3_656
Te5 Rb1 Te2 111.34(3) 1_556 3_656
Te5 Rb1 Te2 144.20(3) 3_656 2_656
Te5 Rb1 Te2 101.098(19) 3_666 2_656
Te3 Rb1 Te2 68.46(2) 3_666 2_656
Te3 Rb1 Te2 104.50(3) 3_656 2_656
Te3 Rb1 Te2 156.897(14) 1_556 2_656
Te5 Rb1 Te2 111.34(3) 1_556 2_656
Te2 Rb1 Te2 45.61(2) 3_656 2_656
Te5 Rb1 Te1 68.68(2) 3_656 .
Te5 Rb1 Te1 104.66(3) 3_666 .
Te3 Rb1 Te1 144.11(3) 3_666 .
Te3 Rb1 Te1 101.219(19) 3_656 .
Te3 Rb1 Te1 111.58(3) 1_556 .
Te5 Rb1 Te1 157.010(13) 1_556 .
Te2 Rb1 Te1 64.12(2) 3_656 .
Te2 Rb1 Te1 82.13(3) 2_656 .
Te5 Rb1 Te1 104.66(3) 3_656 4_565
Te5 Rb1 Te1 68.68(2) 3_666 4_565
Te3 Rb1 Te1 101.219(19) 3_666 4_565
Te3 Rb1 Te1 144.11(3) 3_656 4_565
Te3 Rb1 Te1 111.58(3) 1_556 4_565
Te5 Rb1 Te1 157.010(13) 1_556 4_565
Te2 Rb1 Te1 82.13(3) 3_656 4_565
Te2 Rb1 Te1 64.12(2) 2_656 4_565
Te1 Rb1 Te1 45.46(2) . 4_565
Te5 Rb1 Te7 59.04(2) 3_656 1_455
Te5 Rb1 Te7 59.04(2) 3_666 1_455
Te3 Rb1 Te7 122.54(2) 3_666 1_455
Te3 Rb1 Te7 122.54(2) 3_656 1_455
Te3 Rb1 Te7 60.62(3) 1_556 1_455
Te5 Rb1 Te7 123.57(4) 1_556 1_455
Te2 Rb1 Te7 120.30(3) 3_656 1_455
Te2 Rb1 Te7 120.30(3) 2_656 1_455
Te1 Rb1 Te7 56.19(2) . 1_455
Te1 Rb1 Te7 56.19(2) 4_565 1_455
Te5 Rb1 Te7 122.36(2) 3_656 .
Te5 Rb1 Te7 122.36(2) 3_666 .
Te3 Rb1 Te7 58.86(2) 3_666 .
Te3 Rb1 Te7 58.86(2) 3_656 .
Te3 Rb1 Te7 123.42(4) 1_556 .
Te5 Rb1 Te7 60.47(3) 1_556 .
Te2 Rb1 Te7 56.11(2) 3_656 .
Te2 Rb1 Te7 56.11(2) 2_656 .
Te1 Rb1 Te7 120.22(3) . .
Te1 Rb1 Te7 120.22(4) 4_565 .
Te7 Rb1 Te7 175.96(5) 1_455 .
Te7 Ti1 Te7 180.00(2) 3_656 1_454
Te7 Ti1 Te3 88.43(2) 3_656 .
Te7 Ti1 Te3 91.57(2) 1_454 .
Te7 Ti1 Te3 91.57(2) 3_656 3
Te7 Ti1 Te3 88.43(2) 1_454 3
Te3 Ti1 Te3 180.0 . 3
Te7 Ti1 Te5 91.60(2) 3_656 3_655
Te7 Ti1 Te5 88.40(2) 1_454 3_655
Te3 Ti1 Te5 83.44(2) . 3_655
Te3 Ti1 Te5 96.56(2) 3 3_655
Te7 Ti1 Te5 88.40(2) 3_656 1_455
Te7 Ti1 Te5 91.60(2) 1_454 1_455
Te3 Ti1 Te5 96.56(2) . 1_455
Te3 Ti1 Te5 83.44(2) 3 1_455
Te5 Ti1 Te5 180.00(4) 3_655 1_455
Te7 Ti1 Ti1 122.930(10) 3_656 2
Te7 Ti1 Ti1 57.070(11) 1_454 2
Te3 Ti1 Ti1 57.101(10) . 2
Te3 Ti1 Ti1 122.898(10) 3 2
Te5 Ti1 Ti1 122.888(10) 3_655 2
Te5 Ti1 Ti1 57.112(10) 1_455 2
Te7 Ti1 Ti1 57.070(11) 3_656 2_545
Te7 Ti1 Ti1 122.930(10) 1_454 2_545
Te3 Ti1 Ti1 122.899(10) . 2_545
Te3 Ti1 Ti1 57.102(10) 3 2_545
Te5 Ti1 Ti1 57.112(10) 3_655 2_545
Te5 Ti1 Ti1 122.888(10) 1_455 2_545
Ti1 Ti1 Ti1 180.0 2 2_545
Te7 Ti1 U1 58.212(11) 3_656 .
Te7 Ti1 U1 121.788(11) 1_454 .
Te3 Ti1 U1 54.56(2) . .
Te3 Ti1 U1 125.44(2) 3 .
Te5 Ti1 U1 125.43(2) 3_655 .
Te5 Ti1 U1 54.57(2) 1_455 .
Ti1 Ti1 U1 64.719(4) 2 .
Ti1 Ti1 U1 115.281(4) 2_545 .
Te7 Ti1 U1 121.789(11) 3_656 3
Te7 Ti1 U1 58.211(11) 1_454 3
Te3 Ti1 U1 125.44(2) . 3
Te3 Ti1 U1 54.56(2) 3 3
Te5 Ti1 U1 54.57(2) 3_655 3
Te5 Ti1 U1 125.43(2) 1_455 3
Ti1 Ti1 U1 115.281(4) 2 3
Ti1 Ti1 U1 64.719(4) 2_545 3
U1 Ti1 U1 180.0 . 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 Te3 2.9999(10) .
U1 Te5 3.0005(10) 1_455
U1 Te7 3.1714(3) 3_656
U1 Te7 3.1714(3) 3_666
U1 Te1 3.1935(7) 2_556
U1 Te1 3.1935(7) 3_556
U1 Te2 3.1940(7) 4_565
U1 Te2 3.1941(7) .
U1 Ti1 3.5693(5) .
U1 Ti1 3.5692(5) 2
U1 U2 3.8171(8) .
U2 Te6 3.0479(10) 1_455
U2 Te4 3.0699(10) .
U2 Te2 3.1405(7) .
U2 Te2 3.1405(7) 4_565
U2 Te1 3.1422(7) 3_556
U2 Te1 3.1422(7) 2_556
U2 Te6 3.2022(4) 3_666
U2 Te6 3.2022(4) 3_656
U2 U3 4.0973(6) .
U3 Te6 3.0713(10) .
U3 Te4 3.0957(10) .
U3 Te2 3.1397(7) .
U3 Te2 3.1397(7) 4_565
U3 Te1 3.1401(7) 2_656
U3 Te1 3.1401(7) 3_656
U3 Te4 3.2162(4) 3_666
U3 Te4 3.2162(4) 3_656
Te1 Te1 3.0482(10) 4_565
Te1 Te1 3.0490(10) 4
Te1 U3 3.1400(7) 3_656
Te1 U2 3.1422(7) 3_556
Te1 U1 3.1935(7) 3_556
Te1 Rb1 3.9445(15) .
Te2 Te2 3.0464(10) 4_565
Te2 Te2 3.0508(10) 4
Te2 Rb1 3.9355(15) 3_656
Te3 Ti1 2.8064(7) .
Te3 Ti1 2.8064(7) 2
Te3 Rb1 3.8272(10) 3_666
Te3 Rb1 3.8272(10) 3_656
Te3 Rb1 3.8536(18) 1_554
Te4 U3 3.2162(4) 3_666
Te4 U3 3.2162(4) 3_656
Te5 Ti1 2.8071(7) 2_655
Te5 Ti1 2.8071(7) 1_655
Te5 U1 3.0005(10) 1_655
Te5 Rb1 3.8204(10) 3_656
Te5 Rb1 3.8204(10) 3_666
Te5 Rb1 3.8578(18) 1_554
Te6 U2 3.0479(10) 1_655
Te6 U2 3.2022(4) 3_666
Te6 U2 3.2022(4) 3_656
Te7 Ti1 2.8040(8) 2_656
Te7 Ti1 2.8040(8) 1_656
Te7 U1 3.1714(3) 3_656
Te7 U1 3.1714(3) 3_666
Te7 Rb1 4.1030(14) 1_655
Te7 Rb1 4.1183(14) .
Rb1 Te5 3.8204(10) 3_656
Rb1 Te5 3.8204(10) 3_666
Rb1 Te3 3.8272(10) 3_666
Rb1 Te3 3.8272(10) 3_656
Rb1 Te3 3.8536(18) 1_556
Rb1 Te5 3.8579(18) 1_556
Rb1 Te2 3.9355(15) 3_656
Rb1 Te2 3.9355(15) 2_656
Rb1 Te1 3.9445(15) 4_565
Rb1 Te7 4.1030(14) 1_455
Ti1 Te7 2.8040(8) 3_656
Ti1 Te7 2.8040(8) 1_454
Ti1 Te3 2.8064(7) 3
Ti1 Te5 2.8072(7) 3_655
Ti1 Te5 2.8072(7) 1_455
Ti1 Ti1 3.04860(15) 2
Ti1 Ti1 3.04860(15) 2_545
Ti1 U1 3.5693(5) 3
