#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:49:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179492 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/89/4338938.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_4338938
loop_
_publ_author_name
'Jin, Geng Bang'
'Choi, Eun Sang'
'Guertin, Robert P.'
'Brooks, James S.'
'Booth, Corwin H.'
'Albrecht-Schmitt, Thomas E'
_publ_section_title
;
 Syntheses, structures, magnetism, and optical properties of
 lutetium-based interlanthanide selenides.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9213
_journal_page_last               9220
_journal_paper_doi               10.1021/ic701012j
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'Ce3 Lu Se6'
_chemical_formula_sum            'Ce3 Lu Se6'
_chemical_formula_weight         1069.09
_chemical_name_common            'cerium lutetium selenide'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   geom
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5020(9)
_cell_length_b                   17.4954(11)
_cell_length_c                   4.1129(3)
_cell_measurement_reflns_used    8929
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      1.82
_cell_volume                     1043.52(12)
_computing_cell_refinement       'SMART SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            8641
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    43.070
_exptl_absorpt_correction_T_max  0.44725
_exptl_absorpt_correction_T_min  0.08405
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.805
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.022
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.127
_refine_diff_density_min         -1.519
_refine_diff_density_rms         0.302
_refine_ls_extinction_coef       0.00001(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         1469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0212
_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)+(0.0162P)²+11.2623P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                1386
_reflns_number_total             1469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            allcif.cif
_cod_data_source_block           final
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' 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_original_sg_symbol_H-M      Pnnm
_cod_database_code               4338938
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, 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
Ce1 Ce 0.04851(3) 0.21919(2) 0.0000 0.00778(11) Uani 1 2 d S
Ce2 Ce 0.74897(3) 0.60030(3) 0.0000 0.00893(11) Uani 1 2 d S
Ce3 Ce 0.18137(3) 0.65124(2) 0.0000 0.00635(10) Uani 1 2 d S
Lu1 Lu 0.5000 0.5000 0.0000 0.00842(11) Uani 1 4 d S
Lu2 Lu 0.5000 0.0000 0.0000 0.00930(11) Uani 1 4 d S
Se1 Se 0.09169(5) 0.92043(4) 0.0000 0.00814(16) Uani 1 2 d S
Se2 Se 0.37485(5) 0.61131(4) 0.0000 0.01000(17) Uani 1 2 d S
Se3 Se 0.39420(5) 0.25384(4) 0.0000 0.00899(16) Uani 1 2 d S
Se4 Se 0.31127(5) 0.02379(4) 0.0000 0.00858(16) Uani 1 2 d S
Se5 Se 0.02280(5) 0.39404(4) 0.0000 0.00868(16) Uani 1 2 d S
Se6 Se 0.31339(5) 0.78966(4) 0.0000 0.00845(16) 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
Se Se -0.0929 2.2259 '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'
Lu Lu -0.4720 5.8584 '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
Se2 Ce1 Se2 86.39(2) 3_544 3_545
Se2 Ce1 Se3 84.714(17) 3_544 7_565
Se2 Ce1 Se3 145.41(3) 3_545 7_565
Se2 Ce1 Se3 145.41(3) 3_544 7_566
Se2 Ce1 Se3 84.714(17) 3_545 7_566
Se3 Ce1 Se3 83.92(2) 7_565 7_566
Se2 Ce1 Se5 131.939(16) 3_544 .
Se2 Ce1 Se5 131.939(16) 3_545 .
Se3 Ce1 Se5 76.095(19) 7_565 .
Se3 Ce1 Se5 76.095(19) 7_566 .
Se2 Ce1 Se6 117.47(2) 3_544 3_545
Se2 Ce1 Se6 63.910(19) 3_545 3_545
Se3 Ce1 Se6 147.78(2) 7_565 3_545
Se3 Ce1 Se6 88.038(17) 7_566 3_545
Se5 Ce1 Se6 71.686(19) . 3_545
Se2 Ce1 Se6 63.910(19) 3_544 3_544
Se2 Ce1 Se6 117.47(2) 3_545 3_544
Se3 Ce1 Se6 88.038(17) 7_565 3_544
Se3 Ce1 Se6 147.78(2) 7_566 3_544
Se5 Ce1 Se6 71.686(19) . 3_544
Se6 Ce1 Se6 82.33(2) 3_545 3_544
Se2 Ce1 Se1 75.75(2) 3_544 5_565
Se2 Ce1 Se1 75.75(2) 3_545 5_565
Se3 Ce1 Se1 69.660(19) 7_565 5_565
Se3 Ce1 Se1 69.660(19) 7_566 5_565
Se5 Ce1 Se1 133.28(2) . 5_565
Se6 Ce1 Se1 135.516(14) 3_545 5_565
Se6 Ce1 Se1 135.516(14) 3_544 5_565
Se2 Ce1 Ce3 131.235(14) 3_544 5_565
Se2 Ce1 Ce3 131.235(14) 3_545 5_565
Se3 Ce1 Ce3 46.533(13) 7_565 5_565
Se3 Ce1 Ce3 46.533(13) 7_566 5_565
Se5 Ce1 Ce3 48.834(17) . 5_565
Se6 Ce1 Ce3 107.948(18) 3_545 5_565
Se6 Ce1 Ce3 107.948(18) 3_544 5_565
Se1 Ce1 Ce3 84.443(18) 5_565 5_565
Se2 Ce1 Ce1 133.195(12) 3_544 1_556
Se2 Ce1 Ce1 46.804(12) 3_545 1_556
Se3 Ce1 Ce1 131.961(11) 7_565 1_556
Se3 Ce1 Ce1 48.040(11) 7_566 1_556
Se5 Ce1 Ce1 90.0 . 1_556
Se6 Ce1 Ce1 48.833(11) 3_545 1_556
Se6 Ce1 Ce1 131.166(11) 3_544 1_556
Se1 Ce1 Ce1 90.0 5_565 1_556
Ce3 Ce1 Ce1 90.0 5_565 1_556
Se2 Ce1 Ce1 46.804(12) 3_544 1_554
Se2 Ce1 Ce1 133.195(12) 3_545 1_554
Se3 Ce1 Ce1 48.040(11) 7_565 1_554
Se3 Ce1 Ce1 131.961(11) 7_566 1_554
Se5 Ce1 Ce1 90.0 . 1_554
Se6 Ce1 Ce1 131.167(11) 3_545 1_554
Se6 Ce1 Ce1 48.833(11) 3_544 1_554
Se1 Ce1 Ce1 90.0 5_565 1_554
Ce3 Ce1 Ce1 90.0 5_565 1_554
Ce1 Ce1 Ce1 180.0 1_556 1_554
Se6 Ce2 Se6 87.72(2) 7_676 7_675
Se6 Ce2 Se1 140.27(3) 7_676 7_675
Se6 Ce2 Se1 81.228(18) 7_675 7_675
Se6 Ce2 Se1 81.228(18) 7_676 7_676
Se6 Ce2 Se1 140.27(3) 7_675 7_676
Se1 Ce2 Se1 83.37(2) 7_675 7_676
Se6 Ce2 Se4 144.68(2) 7_676 7_665
Se6 Ce2 Se4 84.468(18) 7_675 7_665
Se1 Ce2 Se4 72.183(19) 7_675 7_665
Se1 Ce2 Se4 124.72(2) 7_676 7_665
Se6 Ce2 Se4 84.468(18) 7_676 7_666
Se6 Ce2 Se4 144.68(2) 7_675 7_666
Se1 Ce2 Se4 124.72(2) 7_675 7_666
Se1 Ce2 Se4 72.183(19) 7_676 7_666
Se4 Ce2 Se4 82.34(2) 7_665 7_666
Se6 Ce2 Se3 72.27(2) 7_676 5_665
Se6 Ce2 Se3 72.27(2) 7_675 5_665
Se1 Ce2 Se3 68.007(18) 7_675 5_665
Se1 Ce2 Se3 68.007(18) 7_676 5_665
Se4 Ce2 Se3 136.189(13) 7_665 5_665
Se4 Ce2 Se3 136.189(13) 7_666 5_665
Se6 Ce2 Se5 70.485(19) 7_676 5_665
Se6 Ce2 Se5 70.485(19) 7_675 5_665
Se1 Ce2 Se5 137.795(11) 7_675 5_665
Se1 Ce2 Se5 137.795(11) 7_676 5_665
Se4 Ce2 Se5 74.434(19) 7_665 5_665
Se4 Ce2 Se5 74.434(19) 7_666 5_665
Se3 Ce2 Se5 127.42(2) 5_665 5_665
Se6 Ce2 Lu1 124.520(16) 7_676 .
Se6 Ce2 Lu1 124.520(16) 7_675 .
Se1 Ce2 Lu1 44.386(12) 7_675 .
Se1 Ce2 Lu1 44.386(12) 7_676 .
Se4 Ce2 Lu1 87.497(17) 7_665 .
Se4 Ce2 Lu1 87.497(17) 7_666 .
Se3 Ce2 Lu1 76.789(16) 5_665 .
Se5 Ce2 Lu1 155.790(19) 5_665 .
Se6 Ce2 Ce2 46.137(12) 7_676 1_556
Se6 Ce2 Ce2 133.862(12) 7_675 1_556
Se1 Ce2 Ce2 131.683(11) 7_675 1_556
Se1 Ce2 Ce2 48.318(11) 7_676 1_556
Se4 Ce2 Ce2 131.170(11) 7_665 1_556
Se4 Ce2 Ce2 48.830(11) 7_666 1_556
Se3 Ce2 Ce2 90.000(1) 5_665 1_556
Se5 Ce2 Ce2 90.0 5_665 1_556
Lu1 Ce2 Ce2 90.0 . 1_556
Se6 Ce2 Ce2 133.862(12) 7_676 1_554
Se6 Ce2 Ce2 46.137(12) 7_675 1_554
Se1 Ce2 Ce2 48.318(11) 7_675 1_554
Se1 Ce2 Ce2 131.683(11) 7_676 1_554
Se4 Ce2 Ce2 48.830(11) 7_665 1_554
Se4 Ce2 Ce2 131.170(11) 7_666 1_554
Se3 Ce2 Ce2 90.0 5_665 1_554
Se5 Ce2 Ce2 90.0 5_665 1_554
Lu1 Ce2 Ce2 90.0 . 1_554
Ce2 Ce2 Ce2 180.0 1_556 1_554
Se2 Ce3 Se3 120.595(19) . 3
Se2 Ce3 Se3 120.595(19) . 3_554
Se3 Ce3 Se3 88.71(2) 3 3_554
Se2 Ce3 Se4 77.78(2) . 3_554
Se3 Ce3 Se4 159.25(3) 3 3_554
Se3 Ce3 Se4 89.299(16) 3_554 3_554
Se2 Ce3 Se4 77.78(2) . 3
Se3 Ce3 Se4 89.299(16) 3 3
Se3 Ce3 Se4 159.25(3) 3_554 3
Se4 Ce3 Se4 85.30(2) 3_554 3
Se2 Ce3 Se5 151.04(3) . 5_565
Se3 Ce3 Se5 78.34(2) 3 5_565
Se3 Ce3 Se5 78.34(2) 3_554 5_565
Se4 Ce3 Se5 81.029(19) 3_554 5_565
Se4 Ce3 Se5 81.029(19) 3 5_565
Se2 Ce3 Se6 65.65(2) . .
Se3 Ce3 Se6 75.66(2) 3 .
Se3 Ce3 Se6 75.66(2) 3_554 .
Se4 Ce3 Se6 123.677(18) 3_554 .
Se4 Ce3 Se6 123.677(18) 3 .
Se5 Ce3 Se6 143.31(2) 5_565 .
Se2 Ce3 Ce1 159.77(2) . 5_565
Se3 Ce3 Ce1 49.365(14) 3 5_565
Se3 Ce3 Ce1 49.365(14) 3_554 5_565
Se4 Ce3 Ce1 116.242(17) 3_554 5_565
Se4 Ce3 Ce1 116.242(17) 3 5_565
Se5 Ce3 Ce1 49.195(17) 5_565 5_565
Se6 Ce3 Ce1 94.114(19) . 5_565
Se2 Ce3 Ce3 90.0 . 1_554
Se3 Ce3 Ce3 134.357(12) 3 1_554
Se3 Ce3 Ce3 45.644(12) 3_554 1_554
Se4 Ce3 Ce3 47.348(12) 3_554 1_554
Se4 Ce3 Ce3 132.651(12) 3 1_554
Se5 Ce3 Ce3 90.0 5_565 1_554
Se6 Ce3 Ce3 90.0 . 1_554
Ce1 Ce3 Ce3 90.001(1) 5_565 1_554
Se2 Ce3 Ce3 90.0 . 1_556
Se3 Ce3 Ce3 45.644(12) 3 1_556
Se3 Ce3 Ce3 134.357(12) 3_554 1_556
Se4 Ce3 Ce3 132.651(12) 3_554 1_556
Se4 Ce3 Ce3 47.348(12) 3 1_556
Se5 Ce3 Ce3 90.0 5_565 1_556
Se6 Ce3 Ce3 90.0 . 1_556
Ce1 Ce3 Ce3 90.001(1) 5_565 1_556
Ce3 Ce3 Ce3 180.0 1_554 1_556
Se2 Lu1 Se2 180.0 . 5_665
Se2 Lu1 Se1 92.27(2) . 3_544
Se2 Lu1 Se1 87.725(19) 5_665 3_544
Se2 Lu1 Se1 92.27(2) . 3_545
Se2 Lu1 Se1 87.725(19) 5_665 3_545
Se1 Lu1 Se1 93.78(2) 3_544 3_545
Se2 Lu1 Se1 87.725(19) . 7_676
Se2 Lu1 Se1 92.274(19) 5_665 7_676
Se1 Lu1 Se1 180.0 3_544 7_676
Se1 Lu1 Se1 86.22(2) 3_545 7_676
Se2 Lu1 Se1 87.725(19) . 7_675
Se2 Lu1 Se1 92.274(19) 5_665 7_675
Se1 Lu1 Se1 86.22(2) 3_544 7_675
Se1 Lu1 Se1 180.0 3_545 7_675
Se1 Lu1 Se1 93.78(2) 7_676 7_675
Se2 Lu1 Ce2 107.062(19) . .
Se2 Lu1 Ce2 72.938(19) 5_665 .
Se1 Lu1 Ce2 129.835(12) 3_544 .
Se1 Lu1 Ce2 129.835(12) 3_545 .
Se1 Lu1 Ce2 50.165(12) 7_676 .
Se1 Lu1 Ce2 50.165(12) 7_675 .
Se2 Lu1 Ce2 72.938(19) . 5_665
Se2 Lu1 Ce2 107.062(19) 5_665 5_665
Se1 Lu1 Ce2 50.165(12) 3_544 5_665
Se1 Lu1 Ce2 50.165(12) 3_545 5_665
Se1 Lu1 Ce2 129.835(12) 7_676 5_665
Se1 Lu1 Ce2 129.835(12) 7_675 5_665
Ce2 Lu1 Ce2 180.000(5) . 5_665
Se4 Lu2 Se4 180.0 . 5_655
Se4 Lu2 Se5 89.011(19) . 3_544
Se4 Lu2 Se5 90.989(19) 5_655 3_544
Se4 Lu2 Se5 90.989(19) . 7_666
Se4 Lu2 Se5 89.010(19) 5_655 7_666
Se5 Lu2 Se5 180.00(2) 3_544 7_666
Se4 Lu2 Se5 89.011(19) . 3_545
Se4 Lu2 Se5 90.989(19) 5_655 3_545
Se5 Lu2 Se5 95.04(2) 3_544 3_545
Se5 Lu2 Se5 84.96(2) 7_666 3_545
Se4 Lu2 Se5 90.989(19) . 7_665
Se4 Lu2 Se5 89.010(19) 5_655 7_665
Se5 Lu2 Se5 84.96(2) 3_544 7_665
Se5 Lu2 Se5 95.04(2) 7_666 7_665
Se5 Lu2 Se5 180.00(2) 3_545 7_665
Lu1 Se1 Lu1 93.78(2) 3 3_554
Lu1 Se1 Ce2 85.449(10) 3 7_576
Lu1 Se1 Ce2 153.08(3) 3_554 7_576
Lu1 Se1 Ce2 153.08(3) 3 7_575
Lu1 Se1 Ce2 85.449(10) 3_554 7_575
Ce2 Se1 Ce2 83.36(2) 7_576 7_575
Lu1 Se1 Ce1 94.464(19) 3 5_565
Lu1 Se1 Ce1 94.464(19) 3_554 5_565
Ce2 Se1 Ce1 112.44(2) 7_576 5_565
Ce2 Se1 Ce1 112.44(2) 7_575 5_565
Lu1 Se2 Ce3 146.96(3) . .
Lu1 Se2 Ce1 101.97(2) . 3
Ce3 Se2 Ce1 101.96(2) . 3
Lu1 Se2 Ce1 101.97(2) . 3_554
Ce3 Se2 Ce1 101.96(2) . 3_554
Ce1 Se2 Ce1 86.39(2) 3 3_554
Ce3 Se3 Ce3 88.71(2) 3_544 3_545
Ce3 Se3 Ce1 146.32(3) 3_544 7_666
Ce3 Se3 Ce1 84.105(12) 3_545 7_666
Ce3 Se3 Ce1 84.105(12) 3_544 7_665
Ce3 Se3 Ce1 146.32(3) 3_545 7_665
Ce1 Se3 Ce1 83.92(2) 7_666 7_665
Ce3 Se3 Ce2 103.78(2) 3_544 5_665
Ce3 Se3 Ce2 103.78(2) 3_545 5_665
Ce1 Se3 Ce2 109.89(2) 7_666 5_665
Ce1 Se3 Ce2 109.89(2) 7_665 5_665
Lu2 Se4 Ce3 94.34(2) . 3_545
Lu2 Se4 Ce3 94.34(2) . 3_544
Ce3 Se4 Ce3 85.30(2) 3_545 3_544
Lu2 Se4 Ce2 100.45(2) . 7_565
Ce3 Se4 Ce2 165.18(3) 3_545 7_565
Ce3 Se4 Ce2 94.284(10) 3_544 7_565
Lu2 Se4 Ce2 100.45(2) . 7_566
Ce3 Se4 Ce2 94.284(10) 3_545 7_566
Ce3 Se4 Ce2 165.18(3) 3_544 7_566
Ce2 Se4 Ce2 82.34(2) 7_565 7_566
Lu2 Se5 Lu2 95.04(2) 3 3_554
Lu2 Se5 Ce3 93.285(19) 3 5_565
Lu2 Se5 Ce3 93.284(19) 3_554 5_565
Lu2 Se5 Ce1 132.400(12) 3 .
Lu2 Se5 Ce1 132.400(12) 3_554 .
Ce3 Se5 Ce1 81.97(2) 5_565 .
Lu2 Se5 Ce2 95.661(19) 3 5_665
Lu2 Se5 Ce2 95.661(19) 3_554 5_665
Ce3 Se5 Ce2 166.73(3) 5_565 5_665
Ce1 Se5 Ce2 84.76(2) . 5_665
Ce2 Se6 Ce2 87.72(2) 7_576 7_575
Ce2 Se6 Ce3 108.28(2) 7_576 .
Ce2 Se6 Ce3 108.28(2) 7_575 .
Ce2 Se6 Ce1 90.097(11) 7_576 3
Ce2 Se6 Ce1 156.06(3) 7_575 3
Ce3 Se6 Ce1 95.04(2) . 3
Ce2 Se6 Ce1 156.06(3) 7_576 3_554
Ce2 Se6 Ce1 90.097(11) 7_575 3_554
Ce3 Se6 Ce1 95.04(2) . 3_554
Ce1 Se6 Ce1 82.33(2) 3 3_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 Se2 3.0044(7) 3_544
Ce1 Se2 3.0044(7) 3_545
Ce1 Se3 3.0757(7) 7_565
Ce1 Se3 3.0757(7) 7_566
Ce1 Se5 3.0818(9) .
Ce1 Se6 3.1241(7) 3_545
Ce1 Se6 3.1241(7) 3_544
Ce1 Se1 3.1782(9) 5_565
Ce1 Ce3 4.0316(6) 5_565
Ce1 Ce1 4.1129(3) 1_556
Ce1 Ce1 4.1129(3) 1_554
Ce2 Se6 2.9678(6) 7_676
Ce2 Se6 2.9678(6) 7_675
Ce2 Se1 3.0924(6) 7_675
Ce2 Se1 3.0924(6) 7_676
Ce2 Se4 3.1239(7) 7_665
Ce2 Se4 3.1239(7) 7_666
Ce2 Se3 3.2896(9) 5_665
Ce2 Se5 3.3114(9) 5_665
Ce2 Lu1 4.0144(5) .
Ce2 Ce2 4.1129(3) 1_556
Ce2 Ce2 4.1129(3) 1_554
Ce3 Se2 2.8915(9) .
Ce3 Se3 2.9415(6) 3
Ce3 Se3 2.9415(6) 3_554
Ce3 Se4 3.0352(7) 3_554
Ce3 Se4 3.0352(7) 3
Ce3 Se5 3.0650(9) 5_565
Ce3 Se6 3.0872(9) .
Ce3 Ce1 4.0316(6) 5_565
Ce3 Ce3 4.1129(3) 1_554
Ce3 Ce3 4.1129(3) 1_556
Lu1 Se2 2.6620(8) .
Lu1 Se2 2.6621(8) 5_665
Lu1 Se1 2.8169(5) 3_544
Lu1 Se1 2.8169(5) 3_545
Lu1 Se1 2.8169(5) 7_676
Lu1 Se1 2.8169(5) 7_675
Lu1 Ce2 4.0144(5) 5_665
Lu2 Se4 2.7684(8) .
Lu2 Se4 2.7684(8) 5_655
Lu2 Se5 2.7883(5) 3_544
Lu2 Se5 2.7883(5) 7_666
Lu2 Se5 2.7883(5) 3_545
Lu2 Se5 2.7883(5) 7_665
Se1 Lu1 2.8169(5) 3
Se1 Lu1 2.8169(5) 3_554
Se1 Ce2 3.0924(6) 7_576
Se1 Ce2 3.0924(6) 7_575
Se1 Ce1 3.1781(9) 5_565
Se2 Ce1 3.0043(7) 3
Se2 Ce1 3.0043(7) 3_554
Se3 Ce3 2.9415(6) 3_544
Se3 Ce3 2.9415(6) 3_545
Se3 Ce1 3.0757(7) 7_666
Se3 Ce1 3.0757(7) 7_665
Se3 Ce2 3.2897(9) 5_665
Se4 Ce3 3.0351(7) 3_545
Se4 Ce3 3.0351(7) 3_544
Se4 Ce2 3.1239(7) 7_565
Se4 Ce2 3.1239(7) 7_566
Se5 Lu2 2.7883(5) 3
Se5 Lu2 2.7883(5) 3_554
Se5 Ce3 3.0650(9) 5_565
Se5 Ce2 3.3113(9) 5_665
Se6 Ce2 2.9678(6) 7_576
Se6 Ce2 2.9678(6) 7_575
Se6 Ce1 3.1241(7) 3
Se6 Ce1 3.1241(7) 3_554
