#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:53:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178828 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/82/4108241.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_4108241
loop_
_publ_author_name
'Limin Wang'
'Zhongjia Tang'
'Bernd Lorenz'
'Arnold M. Guloy'
_publ_section_title
;
 Remarkable Rare-Earth Metal Silicide Oxides with Planar Si6 Rings
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11258
_journal_page_last               11259
_journal_paper_doi               10.1021/ja803632x
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Ce10 O3 Si8'
_chemical_formula_weight         1673.92
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   10.8442(12)
_cell_length_b                   10.8442(12)
_cell_length_c                   4.5606(10)
_cell_measurement_reflns_used    1713
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.40
_cell_measurement_theta_min      3.76
_cell_volume                     464.46(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2865
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    24.454
_exptl_absorpt_correction_T_max  0.9379
_exptl_absorpt_correction_T_min  0.6153
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.985
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.835
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00111(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         275
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0143
_refine_ls_R_factor_gt           0.0130
_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)+(0.0138P)²+0.1421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0288
_refine_ls_wR_factor_ref         0.0291
_reflns_number_gt                256
_reflns_number_total             275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja803632x-file003_2.cif
_cod_data_source_block           Ce10Si8O3
_cod_database_code               4108241
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -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
Ce2 Ce 0.0000 0.0000 0.0000 0.00818(17) Uani 1 24 d S
Ce1 Ce 0.42099(3) 0.210494(17) 0.0000 0.01132(12) Uani 1 4 d S
Ce3 Ce 0.5000 0.5000 -0.5000 0.01046(14) Uani 1 8 d S
Si4 Si 0.0000 0.21984(14) -0.5000 0.0095(3) Uani 1 4 d S
Si5 Si 0.6667 0.3333 -0.5000 0.0118(5) Uani 1 12 d S
O1 O 0.5000 0.5000 -1.0000 0.048(2) Uani 1 8 d S
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
Si4 Ce2 Si4 180.00(5) 14 2
Si4 Ce2 Si4 137.637(14) 14 15_554
Si4 Ce2 Si4 42.363(14) 2 15_554
Si4 Ce2 Si4 42.363(14) 14 3_556
Si4 Ce2 Si4 137.637(14) 2 3_556
Si4 Ce2 Si4 180.0 15_554 3_556
Si4 Ce2 Si4 137.637(14) 14 13_554
Si4 Ce2 Si4 42.363(14) 2 13_554
Si4 Ce2 Si4 77.49(3) 15_554 13_554
Si4 Ce2 Si4 102.51(3) 3_556 13_554
Si4 Ce2 Si4 42.363(14) 14 1_556
Si4 Ce2 Si4 137.637(14) 2 1_556
Si4 Ce2 Si4 102.51(3) 15_554 1_556
Si4 Ce2 Si4 77.49(3) 3_556 1_556
Si4 Ce2 Si4 180.00(4) 13_554 1_556
Si4 Ce2 Si4 77.49(3) 14 15
Si4 Ce2 Si4 102.51(3) 2 15
Si4 Ce2 Si4 87.45(4) 15_554 15
Si4 Ce2 Si4 92.55(4) 3_556 15
Si4 Ce2 Si4 137.637(14) 13_554 15
Si4 Ce2 Si4 42.363(14) 1_556 15
Si4 Ce2 Si4 102.51(3) 14 3
Si4 Ce2 Si4 77.49(3) 2 3
Si4 Ce2 Si4 92.55(4) 15_554 3
Si4 Ce2 Si4 87.45(4) 3_556 3
Si4 Ce2 Si4 42.363(14) 13_554 3
Si4 Ce2 Si4 137.637(14) 1_556 3
Si4 Ce2 Si4 180.00(4) 15 3
Si4 Ce2 Si4 87.45(4) 14 14_554
Si4 Ce2 Si4 92.55(4) 2 14_554
Si4 Ce2 Si4 77.49(3) 15_554 14_554
Si4 Ce2 Si4 102.51(3) 3_556 14_554
Si4 Ce2 Si4 77.49(3) 13_554 14_554
Si4 Ce2 Si4 102.51(3) 1_556 14_554
Si4 Ce2 Si4 137.637(14) 15 14_554
Si4 Ce2 Si4 42.363(14) 3 14_554
Si4 Ce2 Si4 92.55(4) 14 2_556
Si4 Ce2 Si4 87.45(4) 2 2_556
Si4 Ce2 Si4 102.51(3) 15_554 2_556
Si4 Ce2 Si4 77.49(3) 3_556 2_556
Si4 Ce2 Si4 102.51(3) 13_554 2_556
Si4 Ce2 Si4 77.49(3) 1_556 2_556
Si4 Ce2 Si4 42.363(14) 15 2_556
Si4 Ce2 Si4 137.637(14) 3 2_556
Si4 Ce2 Si4 180.00(5) 14_554 2_556
Si4 Ce2 Si4 77.49(3) 14 13
Si4 Ce2 Si4 102.51(3) 2 13
Si4 Ce2 Si4 137.637(14) 15_554 13
Si4 Ce2 Si4 42.363(14) 3_556 13
Si4 Ce2 Si4 87.45(4) 13_554 13
Si4 Ce2 Si4 92.55(4) 1_556 13
Si4 Ce2 Si4 77.49(3) 15 13
Si4 Ce2 Si4 102.51(3) 3 13
Si4 Ce2 Si4 137.637(14) 14_554 13
Si4 Ce2 Si4 42.363(14) 2_556 13
Si4 Ce2 Si4 102.51(3) 14 .
Si4 Ce2 Si4 77.49(3) 2 .
Si4 Ce2 Si4 42.363(14) 15_554 .
Si4 Ce2 Si4 137.637(14) 3_556 .
Si4 Ce2 Si4 92.55(4) 13_554 .
Si4 Ce2 Si4 87.45(4) 1_556 .
Si4 Ce2 Si4 102.51(3) 15 .
Si4 Ce2 Si4 77.49(3) 3 .
Si4 Ce2 Si4 42.363(14) 14_554 .
Si4 Ce2 Si4 137.637(14) 2_556 .
Si4 Ce2 Si4 180.00(4) 13 .
O1 Ce1 O1 149.385(13) 1_556 2_656
O1 Ce1 Si4 121.091(14) 1_556 3
O1 Ce1 Si4 78.23(2) 2_656 3
O1 Ce1 Si4 78.23(2) 1_556 14_554
O1 Ce1 Si4 121.091(14) 2_656 14_554
Si4 Ce1 Si4 43.85(4) 3 14_554
O1 Ce1 Si4 78.23(2) 1_556 14
O1 Ce1 Si4 121.091(14) 2_656 14
Si4 Ce1 Si4 107.43(5) 3 14
Si4 Ce1 Si4 91.18(2) 14_554 14
O1 Ce1 Si4 121.091(14) 1_556 3_556
O1 Ce1 Si4 78.23(2) 2_656 3_556
Si4 Ce1 Si4 91.18(2) 3 3_556
Si4 Ce1 Si4 107.43(5) 14_554 3_556
Si4 Ce1 Si4 43.85(4) 14 3_556
O1 Ce1 Si5 79.178(5) 1_556 1_556
O1 Ce1 Si5 79.178(5) 2_656 1_556
Si4 Ce1 Si5 157.38(2) 3 1_556
Si4 Ce1 Si5 157.38(2) 14_554 1_556
Si4 Ce1 Si5 85.34(2) 14 1_556
Si4 Ce1 Si5 85.34(2) 3_556 1_556
O1 Ce1 Si5 79.178(5) 1_556 .
O1 Ce1 Si5 79.178(5) 2_656 .
Si4 Ce1 Si5 85.34(2) 3 .
Si4 Ce1 Si5 85.34(2) 14_554 .
Si4 Ce1 Si5 157.38(2) 14 .
Si4 Ce1 Si5 157.38(2) 3_556 .
Si5 Ce1 Si5 89.327(16) 1_556 .
O1 Ce1 Ce3 39.052(7) 1_556 1_556
O1 Ce1 Ce3 131.939(8) 2_656 1_556
Si4 Ce1 Ce3 148.33(3) 3 1_556
Si4 Ce1 Ce3 106.959(16) 14_554 1_556
Si4 Ce1 Ce3 52.52(3) 14 1_556
Si4 Ce1 Ce3 87.189(13) 3_556 1_556
Si5 Ce1 Ce3 53.937(7) 1_556 1_556
Si5 Ce1 Ce3 107.280(11) . 1_556
O1 Ce1 Ce3 131.939(8) 1_556 2_655
O1 Ce1 Ce3 39.052(7) 2_656 2_655
Si4 Ce1 Ce3 52.52(3) 3 2_655
Si4 Ce1 Ce3 87.189(13) 14_554 2_655
Si4 Ce1 Ce3 148.33(3) 14 2_655
Si4 Ce1 Ce3 106.959(16) 3_556 2_655
Si5 Ce1 Ce3 107.280(11) 1_556 2_655
Si5 Ce1 Ce3 53.937(7) . 2_655
Ce3 Ce1 Ce3 156.339(10) 1_556 2_655
O1 Ce1 Ce3 39.052(7) 1_556 .
O1 Ce1 Ce3 131.939(8) 2_656 .
Si4 Ce1 Ce3 87.189(13) 3 .
Si4 Ce1 Ce3 52.52(3) 14_554 .
Si4 Ce1 Ce3 106.959(16) 14 .
Si4 Ce1 Ce3 148.33(3) 3_556 .
Si5 Ce1 Ce3 107.280(11) 1_556 .
Si5 Ce1 Ce3 53.937(7) . .
Ce3 Ce1 Ce3 78.103(14) 1_556 .
Ce3 Ce1 Ce3 97.013(13) 2_655 .
O1 Ce1 Ce3 131.939(8) 1_556 2_656
O1 Ce1 Ce3 39.052(7) 2_656 2_656
Si4 Ce1 Ce3 106.959(16) 3 2_656
Si4 Ce1 Ce3 148.33(3) 14_554 2_656
Si4 Ce1 Ce3 87.189(13) 14 2_656
Si4 Ce1 Ce3 52.52(3) 3_556 2_656
Si5 Ce1 Ce3 53.937(7) 1_556 2_656
Si5 Ce1 Ce3 107.280(11) . 2_656
Ce3 Ce1 Ce3 97.013(13) 1_556 2_656
Ce3 Ce1 Ce3 78.103(14) 2_655 2_656
Ce3 Ce1 Ce3 156.339(10) . 2_656
O1 Ce3 O1 180.0 1_556 .
O1 Ce3 Si4 90.0 1_556 14_554
O1 Ce3 Si4 90.0 . 14_554
O1 Ce3 Si4 90.0 1_556 2_665
O1 Ce3 Si4 90.0 . 2_665
Si4 Ce3 Si4 180.00(5) 14_554 2_665
O1 Ce3 Si5 90.0 1_556 13_664
O1 Ce3 Si5 90.0 . 13_664
Si4 Ce3 Si5 90.0 14_554 13_664
Si4 Ce3 Si5 90.0 2_665 13_664
O1 Ce3 Si5 90.0 1_556 .
O1 Ce3 Si5 90.0 . .
Si4 Ce3 Si5 90.0 14_554 .
Si4 Ce3 Si5 90.0 2_665 .
Si5 Ce3 Si5 180.0 13_664 .
O1 Ce3 Ce1 129.052(7) 1_556 1_554
O1 Ce3 Ce1 50.948(7) . 1_554
Si4 Ce3 Ce1 56.491(6) 14_554 1_554
Si4 Ce3 Ce1 123.509(6) 2_665 1_554
Si5 Ce3 Ce1 123.105(5) 13_664 1_554
Si5 Ce3 Ce1 56.895(5) . 1_554
O1 Ce3 Ce1 129.052(7) 1_556 15_554
O1 Ce3 Ce1 50.948(7) . 15_554
Si4 Ce3 Ce1 56.491(6) 14_554 15_554
Si4 Ce3 Ce1 123.509(6) 2_665 15_554
Si5 Ce3 Ce1 56.895(5) 13_664 15_554
Si5 Ce3 Ce1 123.105(5) . 15_554
Ce1 Ce3 Ce1 66.210(10) 1_554 15_554
O1 Ce3 Ce1 50.948(7) 1_556 13_665
O1 Ce3 Ce1 129.052(7) . 13_665
Si4 Ce3 Ce1 123.509(6) 14_554 13_665
Si4 Ce3 Ce1 56.491(6) 2_665 13_665
Si5 Ce3 Ce1 56.895(5) 13_664 13_665
Si5 Ce3 Ce1 123.105(5) . 13_665
Ce1 Ce3 Ce1 180.000(8) 1_554 13_665
Ce1 Ce3 Ce1 113.790(10) 15_554 13_665
O1 Ce3 Ce1 50.948(7) 1_556 3_665
O1 Ce3 Ce1 129.052(7) . 3_665
Si4 Ce3 Ce1 123.509(6) 14_554 3_665
Si4 Ce3 Ce1 56.491(6) 2_665 3_665
Si5 Ce3 Ce1 123.105(5) 13_664 3_665
Si5 Ce3 Ce1 56.895(5) . 3_665
Ce1 Ce3 Ce1 113.790(10) 1_554 3_665
Ce1 Ce3 Ce1 180.0 15_554 3_665
Ce1 Ce3 Ce1 66.210(10) 13_665 3_665
O1 Ce3 Ce1 50.948(7) 1_556 15
O1 Ce3 Ce1 129.052(7) . 15
Si4 Ce3 Ce1 56.491(6) 14_554 15
Si4 Ce3 Ce1 123.509(6) 2_665 15
Si5 Ce3 Ce1 56.895(5) 13_664 15
Si5 Ce3 Ce1 123.105(5) . 15
Ce1 Ce3 Ce1 112.983(12) 1_554 15
Ce1 Ce3 Ce1 78.103(14) 15_554 15
Ce1 Ce3 Ce1 67.017(12) 13_665 15
Ce1 Ce3 Ce1 101.897(14) 3_665 15
O1 Ce3 Ce1 50.948(7) 1_556 .
O1 Ce3 Ce1 129.052(7) . .
Si4 Ce3 Ce1 56.491(6) 14_554 .
Si4 Ce3 Ce1 123.509(6) 2_665 .
Si5 Ce3 Ce1 123.105(5) 13_664 .
Si5 Ce3 Ce1 56.895(5) . .
Ce1 Ce3 Ce1 78.103(14) 1_554 .
Ce1 Ce3 Ce1 112.983(12) 15_554 .
Ce1 Ce3 Ce1 101.897(14) 13_665 .
Ce1 Ce3 Ce1 67.017(12) 3_665 .
Ce1 Ce3 Ce1 66.210(10) 15 .
Si4 Si4 Si4 120.0 15_554 14_554
Si4 Si4 Ce3 120.0 15_554 3_565
Si4 Si4 Ce3 120.0 14_554 3_565
Si4 Si4 Ce1 134.365(13) 15_554 15
Si4 Si4 Ce1 68.073(18) 14_554 15
Ce3 Si4 Ce1 70.99(3) 3_565 15
Si4 Si4 Ce1 68.073(18) 15_554 2_554
Si4 Si4 Ce1 134.365(13) 14_554 2_554
Ce3 Si4 Ce1 70.99(3) 3_565 2_554
Ce1 Si4 Ce1 141.97(5) 15 2_554
Si4 Si4 Ce1 134.365(13) 15_554 15_554
Si4 Si4 Ce1 68.073(18) 14_554 15_554
Ce3 Si4 Ce1 70.99(3) 3_565 15_554
Ce1 Si4 Ce1 91.18(2) 15 15_554
Ce1 Si4 Ce1 76.529(18) 2_554 15_554
Si4 Si4 Ce1 68.073(18) 15_554 2
Si4 Si4 Ce1 134.365(13) 14_554 2
Ce3 Si4 Ce1 70.99(3) 3_565 2
Ce1 Si4 Ce1 76.529(18) 15 2
Ce1 Si4 Ce1 91.18(2) 2_554 2
Ce1 Si4 Ce1 141.97(5) 15_554 2
Si4 Si4 Ce2 68.819(7) 15_554 1_554
Si4 Si4 Ce2 68.819(7) 14_554 1_554
Ce3 Si4 Ce2 136.273(19) 3_565 1_554
Ce1 Si4 Ce2 136.82(3) 15 1_554
Ce1 Si4 Ce2 75.028(14) 2_554 1_554
Ce1 Si4 Ce2 75.028(15) 15_554 1_554
Ce1 Si4 Ce2 136.82(3) 2 1_554
Si4 Si4 Ce2 68.819(7) 15_554 .
Si4 Si4 Ce2 68.819(7) 14_554 .
Ce3 Si4 Ce2 136.273(19) 3_565 .
Ce1 Si4 Ce2 75.028(14) 15 .
Ce1 Si4 Ce2 136.82(3) 2_554 .
Ce1 Si4 Ce2 136.82(3) 15_554 .
Ce1 Si4 Ce2 75.028(14) 2 .
Ce2 Si4 Ce2 87.45(4) 1_554 .
Ce3 Si5 Ce3 120.0 3_665 2_655
Ce3 Si5 Ce3 120.0 3_665 .
Ce3 Si5 Ce3 120.0 2_655 .
Ce3 Si5 Ce1 69.168(3) 3_665 2_655
Ce3 Si5 Ce1 69.168(3) 2_655 2_655
Ce3 Si5 Ce1 135.337(8) . 2_655
Ce3 Si5 Ce1 69.168(3) 3_665 2_654
Ce3 Si5 Ce1 69.168(3) 2_655 2_654
Ce3 Si5 Ce1 135.337(8) . 2_654
Ce1 Si5 Ce1 89.327(16) 2_655 2_654
Ce3 Si5 Ce1 69.168(3) 3_665 3_665
Ce3 Si5 Ce1 135.337(8) 2_655 3_665
Ce3 Si5 Ce1 69.168(3) . 3_665
Ce1 Si5 Ce1 76.043(13) 2_655 3_665
Ce1 Si5 Ce1 138.337(6) 2_654 3_665
Ce3 Si5 Ce1 135.337(8) 3_665 1_554
Ce3 Si5 Ce1 69.168(3) 2_655 1_554
Ce3 Si5 Ce1 69.168(3) . 1_554
Ce1 Si5 Ce1 138.337(6) 2_655 1_554
Ce1 Si5 Ce1 76.043(13) 2_654 1_554
Ce1 Si5 Ce1 138.337(6) 3_665 1_554
Ce3 Si5 Ce1 69.168(3) 3_665 3_664
Ce3 Si5 Ce1 135.337(8) 2_655 3_664
Ce3 Si5 Ce1 69.168(3) . 3_664
Ce1 Si5 Ce1 138.337(6) 2_655 3_664
Ce1 Si5 Ce1 76.043(12) 2_654 3_664
Ce1 Si5 Ce1 89.327(16) 3_665 3_664
Ce1 Si5 Ce1 76.043(12) 1_554 3_664
Ce3 Si5 Ce1 135.337(8) 3_665 .
Ce3 Si5 Ce1 69.168(3) 2_655 .
Ce3 Si5 Ce1 69.168(3) . .
Ce1 Si5 Ce1 76.043(13) 2_655 .
Ce1 Si5 Ce1 138.337(6) 2_654 .
Ce1 Si5 Ce1 76.043(13) 3_665 .
Ce1 Si5 Ce1 89.327(16) 1_554 .
Ce1 Si5 Ce1 138.337(6) 3_664 .
Ce3 O1 Ce3 180.0 1_554 .
Ce3 O1 Ce1 90.0 1_554 1_554
Ce3 O1 Ce1 90.0 . 1_554
Ce3 O1 Ce1 90.0 1_554 15_554
Ce3 O1 Ce1 90.0 . 15_554
Ce1 O1 Ce1 89.385(13) 1_554 15_554
Ce3 O1 Ce1 90.0 1_554 13_664
Ce3 O1 Ce1 90.0 . 13_664
Ce1 O1 Ce1 180.0 1_554 13_664
Ce1 O1 Ce1 90.615(13) 15_554 13_664
Ce3 O1 Ce1 90.0 1_554 3_664
Ce3 O1 Ce1 90.0 . 3_664
Ce1 O1 Ce1 90.615(13) 1_554 3_664
Ce1 O1 Ce1 180.0 15_554 3_664
Ce1 O1 Ce1 89.385(13) 13_664 3_664
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce2 Si4 3.2989(12) 14
Ce2 Si4 3.2989(12) 2
Ce2 Si4 3.2989(12) 15_554
Ce2 Si4 3.2989(12) 3_556
Ce2 Si4 3.2989(12) 13_554
Ce2 Si4 3.2989(12) 1_556
Ce2 Si4 3.2989(12) 15
Ce2 Si4 3.2989(12) 3
Ce2 Si4 3.2989(12) 14_554
Ce2 Si4 3.2989(12) 2_556
Ce2 Si4 3.2989(12) 13
Ce2 Si4 3.2989(12) .
Ce1 O1 2.8108(3) 1_556
Ce1 O1 2.8108(3) 2_656
Ce1 Si4 3.1921(7) 3
Ce1 Si4 3.1921(7) 14_554
Ce1 Si4 3.1921(7) 14
Ce1 Si4 3.1921(7) 3_556
Ce1 Si5 3.2439(5) 1_556
Ce1 Si5 3.2439(5) .
Ce1 Ce3 3.6194(4) 1_556
Ce1 Ce3 3.6194(4) 2_655
Ce1 Ce3 3.6194(4) .
Ce1 Ce3 3.6194(4) 2_656
Ce3 O1 2.2803(5) 1_556
Ce3 O1 2.2803(5) .
Ce3 Si4 3.0382(15) 14_554
Ce3 Si4 3.0382(15) 2_665
Ce3 Si5 3.1305(4) 13_664
Ce3 Si5 3.1305(3) .
Ce3 Ce1 3.6194(4) 1_554
Ce3 Ce1 3.6194(4) 15_554
Ce3 Ce1 3.6194(4) 13_665
Ce3 Ce1 3.6194(4) 3_665
Ce3 Ce1 3.6194(4) 15
Si4 Si4 2.3839(15) 15_554
Si4 Si4 2.3839(15) 14_554
Si4 Ce3 3.0382(15) 3_565
Si4 Ce1 3.1921(7) 15
Si4 Ce1 3.1921(7) 2_554
Si4 Ce1 3.1921(7) 15_554
Si4 Ce1 3.1921(7) 2
Si4 Ce2 3.2989(12) 1_554
Si5 Ce3 3.1305(4) 3_665
Si5 Ce3 3.1305(4) 2_655
Si5 Ce1 3.2439(5) 2_655
Si5 Ce1 3.2439(5) 2_654
Si5 Ce1 3.2439(5) 3_665
Si5 Ce1 3.2439(5) 1_554
Si5 Ce1 3.2439(5) 3_664
O1 Ce3 2.2803(5) 1_554
O1 Ce1 2.8108(3) 1_554
O1 Ce1 2.8108(3) 15_554
O1 Ce1 2.8108(3) 13_664
O1 Ce1 2.8108(3) 3_664
