#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:26:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179412 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/09/4330956.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_4330956
loop_
_publ_author_name
'Jian Lin'
'Justin N. Cross'
'Juan Diwu'
'Matthew J. Polinski'
'Eric M. Villa'
'Thomas E. Albrecht-Schmitt'
_publ_section_title
;
 Unusual Coordination for Plutonium(IV), Cerium(IV), and Zirconium(IV) in
 the Cationic Layered Materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11949
_journal_page_last               11954
_journal_paper_doi               10.1021/ic301846g
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         '[Ce2Te4O11]Cl2'
_chemical_formula_sum            'Ce2 Cl2 O11 Te4'
_chemical_formula_weight         1037.54
_chemical_name_common            'Cerium tellurite chloride'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.537(2)
_cell_angle_beta                 108.932(2)
_cell_angle_gamma                98.327(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1046(19)
_cell_length_b                   9.521(2)
_cell_length_c                   10.423(3)
_cell_measurement_reflns_used    3262
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.700
_cell_measurement_theta_min      1.269
_cell_volume                     693.2(3)
_computing_cell_refinement       'smart saint'
_computing_data_collection       smart
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'BRUKER apex II'
_diffrn_measurement_method       '0.5 wide w/ exposures'
_diffrn_radiation_monochromator  'Quazar optics'
_diffrn_radiation_source         'Imus microfocused'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8087
_diffrn_reflns_theta_full        27.70
_diffrn_reflns_theta_max         27.70
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    15.163
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.702
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SHELTXPREP
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    4.971
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Tablet
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         8.783
_refine_diff_density_min         -3.988
_refine_diff_density_rms         0.425
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.269
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3160
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.393
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+27.4425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                2991
_reflns_number_total             3160
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301846g_si_002_2.cif
_cod_data_source_block           '[Ce2Te4O11]Cl2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'N/A' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4330956
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Ce1 Ce 0.12158(8) 0.38211(7) 0.38334(6) 0.00954(15) Uani 1 1 d .
Ce2 Ce 0.62110(7) -0.11337(7) -0.11836(6) 0.00876(14) Uani 1 1 d .
Te4 Te 0.00468(10) 0.27056(8) -0.00676(8) 0.01062(16) Uani 1 1 d .
Te3 Te 0.25467(10) 0.50808(8) 0.80301(8) 0.01215(17) Uani 1 1 d .
Te2 Te 0.20371(10) 0.03580(8) -0.26329(8) 0.01247(17) Uani 1 1 d .
Te1 Te 0.53039(10) 0.23467(8) 0.54670(8) 0.01261(17) Uani 1 1 d .
Cl2 Cl 0.3712(5) 0.6047(4) 1.1132(3) 0.0302(8) Uani 1 1 d U
Cl1 Cl -0.1107(6) 0.1230(6) -0.3790(4) 0.0453(10) Uani 1 1 d U
O6 O 0.4004(11) 0.0110(10) -0.1181(9) 0.0153(16) Uani 1 1 d .
O3 O 0.3366(12) 0.3191(11) 0.5293(11) 0.026(2) Uani 1 1 d .
O2 O 0.5125(13) -0.1444(11) -0.3494(10) 0.027(2) Uani 1 1 d .
O9 O 0.1134(11) 0.4923(10) 0.6108(9) 0.0149(16) Uani 1 1 d .
O5 O 0.1660(11) 0.1432(9) -0.0894(9) 0.0144(16) Uani 1 1 d .
O8 O 0.0750(11) 0.6082(9) 0.8452(9) 0.0131(16) Uani 1 1 d .
O11 O 0.8254(11) -0.2621(9) -0.1656(9) 0.0133(16) Uani 1 1 d .
O4 O 0.0587(10) -0.1572(9) -0.3198(8) 0.0139(16) Uani 1 1 d .
O1 O 0.3001(11) 0.5892(9) 0.4135(9) 0.0182(18) Uani 1 1 d .
O7 O 0.4319(10) 0.6762(9) 0.8410(9) 0.0147(16) Uani 1 1 d .
O10 O -0.1737(10) 0.0931(9) -0.0622(8) 0.0108(15) 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
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Te Te -0.5308 1.6751 '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
O1 Ce1 O4 171.3(3) . 2
O1 Ce1 O3 94.1(4) . .
O4 Ce1 O3 88.2(3) 2 .
O1 Ce1 O9 92.1(3) . .
O4 Ce1 O9 96.6(3) 2 .
O3 Ce1 O9 76.0(3) . .
O1 Ce1 O9 90.9(3) . 2_566
O4 Ce1 O9 92.7(3) 2 2_566
O3 Ce1 O9 140.3(3) . 2_566
O9 Ce1 O9 64.5(3) . 2_566
O1 Ce1 O11 86.3(3) . 2_655
O4 Ce1 O11 85.1(3) 2 2_655
O3 Ce1 O11 95.4(3) . 2_655
O9 Ce1 O11 171.1(3) . 2_655
O9 Ce1 O11 124.2(3) 2_566 2_655
O1 Ce1 O8 86.4(3) . 2_566
O4 Ce1 O8 88.3(3) 2 2_566
O3 Ce1 O8 157.8(3) . 2_566
O9 Ce1 O8 126.2(3) . 2_566
O9 Ce1 O8 61.8(3) 2_566 2_566
O11 Ce1 O8 62.5(3) 2_655 2_566
O1 Ce1 Te3 89.8(2) . 2_566
O4 Ce1 Te3 89.2(2) 2 2_566
O3 Ce1 Te3 170.0(3) . 2_566
O9 Ce1 Te3 94.7(2) . 2_566
O9 Ce1 Te3 30.24(19) 2_566 2_566
O11 Ce1 Te3 94.00(19) 2_655 2_566
O8 Ce1 Te3 31.58(17) 2_566 2_566
O1 Ce1 Te4 87.0(2) . .
O4 Ce1 Te4 84.8(2) 2 .
O3 Ce1 Te4 124.5(3) . .
O9 Ce1 Te4 159.6(2) . .
O9 Ce1 Te4 95.10(19) 2_566 .
O11 Ce1 Te4 29.14(19) 2_655 .
O8 Ce1 Te4 33.36(17) 2_566 .
Te3 Ce1 Te4 64.87(2) 2_566 .
O1 Ce1 Ce1 91.7(2) . 2_566
O4 Ce1 Ce1 95.4(2) 2 2_566
O3 Ce1 Ce1 108.9(3) . 2_566
O9 Ce1 Ce1 33.0(2) . 2_566
O9 Ce1 Ce1 31.45(19) 2_566 2_566
O11 Ce1 Ce1 155.65(19) 2_655 2_566
O8 Ce1 Ce1 93.20(18) 2_566 2_566
Te3 Ce1 Ce1 61.69(3) 2_566 2_566
Te4 Ce1 Ce1 126.55(3) . 2_566
O10 Ce2 O7 174.9(3) 1_655 1_544
O10 Ce2 O2 91.3(3) 1_655 .
O7 Ce2 O2 93.1(3) 1_544 .
O10 Ce2 O6 93.6(3) 1_655 .
O7 Ce2 O6 89.7(3) 1_544 .
O2 Ce2 O6 80.7(3) . .
O10 Ce2 O11 89.2(3) 1_655 .
O7 Ce2 O11 88.3(3) 1_544 .
O2 Ce2 O11 89.3(3) . .
O6 Ce2 O11 169.8(3) . .
O10 Ce2 O5 86.0(3) 1_655 2_655
O7 Ce2 O5 88.9(3) 1_544 2_655
O2 Ce2 O5 152.0(3) . 2_655
O6 Ce2 O5 127.3(3) . 2_655
O11 Ce2 O5 62.7(3) . 2_655
O10 Ce2 O6 91.5(3) 1_655 2_655
O7 Ce2 O6 86.3(3) 1_544 2_655
O2 Ce2 O6 146.6(3) . 2_655
O6 Ce2 O6 65.9(3) . 2_655
O11 Ce2 O6 123.9(3) . 2_655
O5 Ce2 O6 61.4(3) 2_655 2_655
O10 Ce2 Te2 86.1(2) 1_655 2_655
O7 Ce2 Te2 89.7(2) 1_544 2_655
O2 Ce2 Te2 176.0(3) . 2_655
O6 Ce2 Te2 96.4(2) . 2_655
O11 Ce2 Te2 93.67(19) . 2_655
O5 Ce2 Te2 30.92(18) 2_655 2_655
O6 Ce2 Te2 30.66(19) 2_655 2_655
O10 Ce2 Te4 86.0(2) 1_655 2_655
O7 Ce2 Te4 89.7(2) 1_544 2_655
O2 Ce2 Te4 118.0(3) . 2_655
O6 Ce2 Te4 161.3(2) . 2_655
O11 Ce2 Te4 28.80(19) . 2_655
O5 Ce2 Te4 34.00(18) 2_655 2_655
O6 Ce2 Te4 95.38(19) 2_655 2_655
Te2 Ce2 Te4 64.908(19) 2_655 2_655
O10 Ce2 Ce2 93.0(2) 1_655 2_655
O7 Ce2 Ce2 87.5(2) 1_544 2_655
O2 Ce2 Ce2 114.8(3) . 2_655
O6 Ce2 Ce2 34.0(2) . 2_655
O11 Ce2 Ce2 155.73(19) . 2_655
O5 Ce2 Ce2 93.27(18) 2_655 2_655
O6 Ce2 Ce2 31.88(19) 2_655 2_655
Te2 Ce2 Ce2 62.42(2) 2_655 2_655
Te4 Ce2 Ce2 127.26(3) 2_655 2_655
O10 Te4 O11 98.5(3) . 2_655
O10 Te4 O8 91.8(3) . 2_566
O11 Te4 O8 78.1(3) 2_655 2_566
O10 Te4 O5 91.8(3) . .
O11 Te4 O5 77.1(3) 2_655 .
O8 Te4 O5 155.2(3) 2_566 .
O10 Te4 Ce1 95.1(2) . .
O11 Te4 Ce1 37.7(2) 2_655 .
O8 Te4 Ce1 40.4(2) 2_566 .
O5 Te4 Ce1 114.8(2) . .
O10 Te4 Ce2 94.9(2) . 2_655
O11 Te4 Ce2 37.2(2) 2_655 2_655
O8 Te4 Ce2 115.3(2) 2_566 2_655
O5 Te4 Ce2 39.9(2) . 2_655
Ce1 Te4 Ce2 74.85(2) . 2_655
O7 Te3 O9 94.3(4) . .
O7 Te3 O8 100.0(4) . .
O9 Te3 O8 80.4(3) . .
O7 Te3 Cl2 86.6(3) . .
O9 Te3 Cl2 156.9(2) . .
O8 Te3 Cl2 76.7(2) . .
O7 Te3 Ce1 97.4(3) . 2_566
O9 Te3 Ce1 39.4(2) . 2_566
O8 Te3 Ce1 41.1(2) . 2_566
Cl2 Te3 Ce1 117.53(7) . 2_566
O4 Te2 O6 93.7(4) . .
O4 Te2 O5 100.0(3) . .
O6 Te2 O5 80.2(3) . .
O4 Te2 Cl1 88.4(3) . .
O6 Te2 Cl1 157.9(3) . .
O5 Te2 Cl1 77.7(3) . .
O4 Te2 Ce2 95.5(2) . 2_655
O6 Te2 Ce2 40.2(2) . 2_655
O5 Te2 Ce2 40.3(2) . 2_655
Cl1 Te2 Ce2 117.68(8) . 2_655
O1 Te1 O2 95.8(4) 2_666 2_655
O1 Te1 O3 96.4(4) 2_666 .
O2 Te1 O3 98.7(5) 2_655 .
Te2 O6 Ce2 136.2(4) . .
Te2 O6 Ce2 109.2(3) . 2_655
Ce2 O6 Ce2 114.1(3) . 2_655
Te1 O3 Ce1 145.9(6) . .
Te1 O2 Ce2 155.9(6) 2_655 .
Te3 O9 Ce1 134.1(4) . .
Te3 O9 Ce1 110.3(3) . 2_566
Ce1 O9 Ce1 115.5(3) . 2_566
Te2 O5 Te4 145.0(4) . .
Te2 O5 Ce2 108.8(3) . 2_655
Te4 O5 Ce2 106.1(3) . 2_655
Te3 O8 Te4 146.1(4) . 2_566
Te3 O8 Ce1 107.3(3) . 2_566
Te4 O8 Ce1 106.2(3) 2_566 2_566
Te4 O11 Ce2 114.0(4) 2_655 .
Te4 O11 Ce1 113.1(4) 2_655 2_655
Ce2 O11 Ce1 132.6(3) . 2_655
Te2 O4 Ce1 177.5(5) . 2
Te1 O1 Ce1 174.8(5) 2_666 .
Te3 O7 Ce2 174.3(5) . 1_566
Te4 O10 Ce2 177.8(4) . 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O1 2.136(8) .
Ce1 O4 2.173(8) 2
Ce1 O3 2.207(9) .
Ce1 O9 2.295(8) .
Ce1 O9 2.398(8) 2_566
Ce1 O11 2.402(8) 2_655
Ce1 O8 2.438(8) 2_566
Ce1 Te3 3.5406(11) 2_566
Ce1 Te4 3.6084(14) .
Ce1 Ce1 3.9696(13) 2_566
Ce2 O10 2.159(7) 1_655
Ce2 O7 2.167(8) 1_544
Ce2 O2 2.181(9) .
Ce2 O6 2.284(8) .
Ce2 O11 2.398(8) .
Ce2 O5 2.419(8) 2_655
Ce2 O6 2.420(8) 2_655
Ce2 Te2 3.5423(14) 2_655
Ce2 Te4 3.6233(11) 2_655
Ce2 Ce2 3.9477(13) 2_655
Te4 O10 1.847(7) .
Te4 O11 1.911(8) 2_655
Te4 O8 2.066(7) 2_566
Te4 O5 2.109(8) .
Te4 Ce2 3.6233(11) 2_655
Te3 O7 1.828(8) .
Te3 O9 1.902(8) .
Te3 O8 1.943(8) .
Te3 Cl2 2.840(3) .
Te3 Ce1 3.5406(11) 2_566
Te2 O4 1.828(8) .
Te2 O6 1.912(8) .
Te2 O5 1.923(8) .
Te2 Cl1 2.809(3) .
Te2 Ce2 3.5423(14) 2_655
Te1 O1 1.842(8) 2_666
Te1 O2 1.848(9) 2_655
Te1 O3 1.849(9) .
O6 Ce2 2.420(8) 2_655
O2 Te1 1.848(9) 2_655
O9 Ce1 2.398(8) 2_566
O5 Ce2 2.419(8) 2_655
O8 Te4 2.066(7) 2_566
O8 Ce1 2.438(8) 2_566
O11 Te4 1.911(8) 2_655
O11 Ce1 2.402(8) 2_655
O4 Ce1 2.173(8) 2
O1 Te1 1.842(8) 2_666
O7 Ce2 2.167(8) 1_566
O10 Ce2 2.159(7) 1_455
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
O1 Ce1 Te4 O10 -174.8(3) . .
O4 Ce1 Te4 O10 8.0(3) 2 .
O3 Ce1 Te4 O10 92.2(4) . .
O9 Ce1 Te4 O10 -87.0(7) . .
O9 Ce1 Te4 O10 -84.2(3) 2_566 .
O11 Ce1 Te4 O10 97.3(5) 2_655 .
O8 Ce1 Te4 O10 -86.8(4) 2_566 .
Te3 Ce1 Te4 O10 -83.6(2) 2_566 .
Ce1 Ce1 Te4 O10 -84.9(2) 2_566 .
O1 Ce1 Te4 O11 87.9(5) . 2_655
O4 Ce1 Te4 O11 -89.3(5) 2 2_655
O3 Ce1 Te4 O11 -5.0(5) . 2_655
O9 Ce1 Te4 O11 175.7(7) . 2_655
O9 Ce1 Te4 O11 178.5(5) 2_566 2_655
O8 Ce1 Te4 O11 176.0(5) 2_566 2_655
Te3 Ce1 Te4 O11 179.1(4) 2_566 2_655
Ce1 Ce1 Te4 O11 177.8(4) 2_566 2_655
O1 Ce1 Te4 O8 -88.1(4) . 2_566
O4 Ce1 Te4 O8 94.7(4) 2 2_566
O3 Ce1 Te4 O8 179.0(5) . 2_566
O9 Ce1 Te4 O8 -0.2(7) . 2_566
O9 Ce1 Te4 O8 2.5(4) 2_566 2_566
O11 Ce1 Te4 O8 -176.0(5) 2_655 2_566
Te3 Ce1 Te4 O8 3.1(4) 2_566 2_566
Ce1 Ce1 Te4 O8 1.8(4) 2_566 2_566
O1 Ce1 Te4 O5 90.8(3) . .
O4 Ce1 Te4 O5 -86.4(3) 2 .
O3 Ce1 Te4 O5 -2.1(4) . .
O9 Ce1 Te4 O5 178.6(7) . .
O9 Ce1 Te4 O5 -178.6(3) 2_566 .
O11 Ce1 Te4 O5 2.9(5) 2_655 .
O8 Ce1 Te4 O5 178.9(4) 2_566 .
Te3 Ce1 Te4 O5 -178.0(2) 2_566 .
Ce1 Ce1 Te4 O5 -179.3(2) 2_566 .
O1 Ce1 Te4 Ce2 91.4(2) . 2_655
O4 Ce1 Te4 Ce2 -85.8(2) 2 2_655
O3 Ce1 Te4 Ce2 -1.5(3) . 2_655
O9 Ce1 Te4 Ce2 179.3(6) . 2_655
O9 Ce1 Te4 Ce2 -178.0(2) 2_566 2_655
O11 Ce1 Te4 Ce2 3.5(4) 2_655 2_655
O8 Ce1 Te4 Ce2 179.5(4) 2_566 2_655
Te3 Ce1 Te4 Ce2 -177.35(2) 2_566 2_655
Ce1 Ce1 Te4 Ce2 -178.66(3) 2_566 2_655
O4 Te2 O6 Ce2 76.7(6) . .
O5 Te2 O6 Ce2 176.3(7) . .
Cl1 Te2 O6 Ce2 171.5(3) . .
Ce2 Te2 O6 Ce2 170.8(9) 2_655 .
O4 Te2 O6 Ce2 -94.1(4) . 2_655
O5 Te2 O6 Ce2 5.5(4) . 2_655
Cl1 Te2 O6 Ce2 0.7(10) . 2_655
O10 Ce2 O6 Te2 99.5(6) 1_655 .
O7 Ce2 O6 Te2 -84.4(6) 1_544 .
O2 Ce2 O6 Te2 8.8(6) . .
O11 Ce2 O6 Te2 -6(2) . .
O5 Ce2 O6 Te2 -172.8(5) 2_655 .
O6 Ce2 O6 Te2 -170.5(9) 2_655 .
Te2 Ce2 O6 Te2 -174.0(6) 2_655 .
Te4 Ce2 O6 Te2 -172.52(11) 2_655 .
Ce2 Ce2 O6 Te2 -170.5(9) 2_655 .
O10 Ce2 O6 Ce2 -90.0(4) 1_655 2_655
O7 Ce2 O6 Ce2 86.1(4) 1_544 2_655
O2 Ce2 O6 Ce2 179.2(4) . 2_655
O11 Ce2 O6 Ce2 164.7(14) . 2_655
O5 Ce2 O6 Ce2 -2.3(5) 2_655 2_655
O6 Ce2 O6 Ce2 0.0 2_655 2_655
Te2 Ce2 O6 Ce2 -3.6(3) 2_655 2_655
Te4 Ce2 O6 Ce2 -2.0(9) 2_655 2_655
O1 Te1 O3 Ce1 82.2(9) 2_666 .
O2 Te1 O3 Ce1 -14.6(10) 2_655 .
O1 Ce1 O3 Te1 -79.0(9) . .
O4 Ce1 O3 Te1 92.6(9) 2 .
O9 Ce1 O3 Te1 -170.1(10) . .
O9 Ce1 O3 Te1 -175.4(7) 2_566 .
O11 Ce1 O3 Te1 7.7(9) 2_655 .
O8 Ce1 O3 Te1 11.6(16) 2_566 .
Te3 Ce1 O3 Te1 168.0(6) 2_566 .
Te4 Ce1 O3 Te1 10.1(11) . .
Ce1 Ce1 O3 Te1 -172.3(8) 2_566 .
O10 Ce2 O2 Te1 106.5(13) 1_655 2_655
O7 Ce2 O2 Te1 -71.0(13) 1_544 2_655
O6 Ce2 O2 Te1 -160.1(14) . 2_655
O11 Ce2 O2 Te1 17.3(13) . 2_655
O5 Ce2 O2 Te1 22.5(18) 2_655 2_655
O6 Ce2 O2 Te1 -158.9(10) 2_655 2_655
Te2 Ce2 O2 Te1 156(3) 2_655 2_655
Te4 Ce2 O2 Te1 20.3(14) 2_655 2_655
Ce2 Ce2 O2 Te1 -159.7(12) 2_655 2_655
O7 Te3 O9 Ce1 83.6(6) . .
O8 Te3 O9 Ce1 -177.0(6) . .
Cl2 Te3 O9 Ce1 175.0(2) . .
Ce1 Te3 O9 Ce1 180.0(9) 2_566 .
O7 Te3 O9 Ce1 -96.4(4) . 2_566
O8 Te3 O9 Ce1 3.0(4) . 2_566
Cl2 Te3 O9 Ce1 -5.0(9) . 2_566
O1 Ce1 O9 Te3 -90.0(6) . .
O4 Ce1 O9 Te3 90.2(6) 2 .
O3 Ce1 O9 Te3 3.7(6) . .
O9 Ce1 O9 Te3 -180.0(9) 2_566 .
O11 Ce1 O9 Te3 -11(2) 2_655 .
O8 Ce1 O9 Te3 -177.1(5) 2_566 .
Te3 Ce1 O9 Te3 -180.0(5) 2_566 .
Te4 Ce1 O9 Te3 -176.91(8) . .
Ce1 Ce1 O9 Te3 -180.0(9) 2_566 .
O1 Ce1 O9 Ce1 90.0(4) . 2_566
O4 Ce1 O9 Ce1 -89.8(4) 2 2_566
O3 Ce1 O9 Ce1 -176.3(5) . 2_566
O9 Ce1 O9 Ce1 0.0 2_566 2_566
O11 Ce1 O9 Ce1 169.4(16) 2_655 2_566
O8 Ce1 O9 Ce1 2.9(5) 2_566 2_566
Te3 Ce1 O9 Ce1 0.0(3) 2_566 2_566
Te4 Ce1 O9 Ce1 3.1(9) . 2_566
O4 Te2 O5 Te4 -89.5(8) . .
O6 Te2 O5 Te4 178.4(8) . .
Cl1 Te2 O5 Te4 -3.4(7) . .
Ce2 Te2 O5 Te4 -176.1(10) 2_655 .
O4 Te2 O5 Ce2 86.6(4) . 2_655
O6 Te2 O5 Ce2 -5.5(4) . 2_655
Cl1 Te2 O5 Ce2 172.7(4) . 2_655
O10 Te4 O5 Te2 80.6(8) . .
O11 Te4 O5 Te2 179.0(8) 2_655 .
O8 Te4 O5 Te2 178.9(6) 2_566 .
Ce1 Te4 O5 Te2 177.1(6) . .
Ce2 Te4 O5 Te2 176.2(10) 2_655 .
O10 Te4 O5 Ce2 -95.5(4) . 2_655
O11 Te4 O5 Ce2 2.8(3) 2_655 2_655
O8 Te4 O5 Ce2 2.7(9) 2_566 2_655
Ce1 Te4 O5 Ce2 0.9(4) . 2_655
O7 Te3 O8 Te4 -80.8(8) . 2_566
O9 Te3 O8 Te4 -173.5(9) . 2_566
Cl2 Te3 O8 Te4 3.3(7) . 2_566
Ce1 Te3 O8 Te4 -170.6(10) 2_566 2_566
O7 Te3 O8 Ce1 89.9(4) . 2_566
O9 Te3 O8 Ce1 -2.9(4) . 2_566
Cl2 Te3 O8 Ce1 173.9(3) . 2_566
O10 Ce2 O11 Te4 83.2(4) 1_655 2_655
O7 Ce2 O11 Te4 -92.4(4) 1_544 2_655
O2 Ce2 O11 Te4 174.5(4) . 2_655
O6 Ce2 O11 Te4 -171.2(14) . 2_655
O5 Ce2 O11 Te4 -2.8(3) 2_655 2_655
O6 Ce2 O11 Te4 -8.1(5) 2_655 2_655
Te2 Ce2 O11 Te4 -2.9(4) 2_655 2_655
Ce2 Ce2 O11 Te4 -12.2(8) 2_655 2_655
O10 Ce2 O11 Ce1 -89.8(5) 1_655 2_655
O7 Ce2 O11 Ce1 94.6(5) 1_544 2_655
O2 Ce2 O11 Ce1 1.6(5) . 2_655
O6 Ce2 O11 Ce1 15.9(19) . 2_655
O5 Ce2 O11 Ce1 -175.7(6) 2_655 2_655
O6 Ce2 O11 Ce1 179.0(4) 2_655 2_655
Te2 Ce2 O11 Ce1 -175.8(4) 2_655 2_655
Te4 Ce2 O11 Ce1 -172.9(8) 2_655 2_655
Ce2 Ce2 O11 Ce1 174.87(7) 2_655 2_655
O6 Te2 O4 Ce1 114(11) . 2
O5 Te2 O4 Ce1 34(11) . 2
Cl1 Te2 O4 Ce1 -44(11) . 2
Ce2 Te2 O4 Ce1 74(11) 2_655 2
O4 Ce1 O1 Te1 -116(5) 2 2_666
O3 Ce1 O1 Te1 -11(5) . 2_666
O9 Ce1 O1 Te1 65(5) . 2_666
O9 Ce1 O1 Te1 130(5) 2_566 2_666
O11 Ce1 O1 Te1 -106(5) 2_655 2_666
O8 Ce1 O1 Te1 -169(5) 2_566 2_666
Te3 Ce1 O1 Te1 160(5) 2_566 2_666
Te4 Ce1 O1 Te1 -135(5) . 2_666
Ce1 Ce1 O1 Te1 98(5) 2_566 2_666
O9 Te3 O7 Ce2 57(5) . 1_566
O8 Te3 O7 Ce2 -24(5) . 1_566
Cl2 Te3 O7 Ce2 -100(5) . 1_566
Ce1 Te3 O7 Ce2 17(5) 2_566 1_566
O11 Te4 O10 Ce2 28(12) 2_655 1_455
O8 Te4 O10 Ce2 -51(12) 2_566 1_455
O5 Te4 O10 Ce2 105(11) . 1_455
Ce1 Te4 O10 Ce2 -10(12) . 1_455
Ce2 Te4 O10 Ce2 65(12) 2_655 1_455
