#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316496.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_4316496
loop_
_publ_author_name
'Daniel E. Bugaris'
'Daniel M. Wells'
'Jiyong Yao'
'S. Skanthakumar'
'Richard G. Haire'
'L. Soderholm'
'James A. Ibers'
_publ_contact_author_address
;
Department of Chemistry
Northwestern University
Evanston, IL 60208-3113
;
_publ_contact_author_email       ibers@chem.northwestern.edu
_publ_contact_author_fax         '1 847 491 3976'
_publ_contact_author_name        'James A. Ibers'
_publ_contact_author_phone       '1 847 491 5449'
_publ_section_title
;
 Dichalcogenide Bonding in Seven Alkali-Metal Actinide Chalcogenides of
 the KTh2Se6 Structure Type
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8381
_journal_page_last               8388
_journal_paper_doi               10.1021/ic1008895
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'Cs Np2 Se6'
_chemical_formula_sum            'Cs Np2 Se6'
_chemical_formula_weight         1080.67
_chemical_name_common            'Cesium dineptunium hexaselenide'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_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            2
_cell_length_a                   4.0107(10)
_cell_length_b                   5.5187(13)
_cell_length_c                   24.060(6)
_cell_measurement_reflns_used    3080
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.38
_cell_measurement_theta_min      3.39
_cell_volume                     532.5(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            4615
_diffrn_reflns_theta_full        33.54
_diffrn_reflns_theta_max         33.54
_diffrn_reflns_theta_min         3.39
_exptl_absorpt_coefficient_mu    43.205
_exptl_absorpt_correction_T_max  0.4044
_exptl_absorpt_correction_T_min  0.0871
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed (SADABS; Sheldrick, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             890
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.021
_refine_diff_density_max         6.178
_refine_diff_density_min         -6.560
_refine_diff_density_rms         0.685
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.249
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.249
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0435
_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
 [1.00000]/
   [σ²(Fo²)+(0.0299Fo²)²]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1038
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                574
_reflns_number_total             635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1008895_si_001_1.cif
_cod_data_source_block           CsNpSe
_cod_database_code               4316496
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-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+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'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+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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.5000 0.0000 0.5000 0.084(2) Uani 0.732(8) 8 d SP . .
Cs2 Cs 0.0000 0.0000 0.0000 0.032(2) Uani 0.268(8) 8 d SP . .
Np1 Np 0.0000 0.0000 0.18647(3) 0.00900(18) Uani 1 4 d S . .
Se1 Se 0.5000 0.0000 0.27175(8) 0.0102(3) Uani 1 4 d S . .
Se2 Se 0.0000 0.2602(3) 0.38091(6) 0.0166(3) 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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Np Np -11.4937 4.1493 '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
_geom_angle_publ_flag
Cs2 Cs1 Cs2 180.0 5 5_545 ?
Cs2 Cs1 Se2 67.68(2) 5 10_656 ?
Cs2 Cs1 Se2 112.32(2) 5_545 10_656 ?
Cs2 Cs1 Se2 112.32(2) 5 2 ?
Cs2 Cs1 Se2 67.68(2) 5_545 2 ?
Se2 Cs1 Se2 180.0 10_656 2 ?
Cs2 Cs1 Se2 112.32(2) 5 9_656 ?
Cs2 Cs1 Se2 67.68(2) 5_545 9_656 ?
Se2 Cs1 Se2 44.65(4) 10_656 9_656 ?
Se2 Cs1 Se2 135.35(4) 2 9_656 ?
Cs2 Cs1 Se2 67.68(2) 5 . ?
Cs2 Cs1 Se2 112.32(2) 5_545 . ?
Se2 Cs1 Se2 135.35(4) 10_656 . ?
Se2 Cs1 Se2 44.65(4) 2 . ?
Se2 Cs1 Se2 180.00(3) 9_656 . ?
Cs2 Cs1 Se2 67.68(2) 5 10_556 ?
Cs2 Cs1 Se2 112.32(2) 5_545 10_556 ?
Se2 Cs1 Se2 64.07(3) 10_656 10_556 ?
Se2 Cs1 Se2 115.93(3) 2 10_556 ?
Se2 Cs1 Se2 81.44(4) 9_656 10_556 ?
Se2 Cs1 Se2 98.56(4) . 10_556 ?
Cs2 Cs1 Se2 112.32(2) 5 2_655 ?
Cs2 Cs1 Se2 67.68(2) 5_545 2_655 ?
Se2 Cs1 Se2 115.93(3) 10_656 2_655 ?
Se2 Cs1 Se2 64.07(3) 2 2_655 ?
Se2 Cs1 Se2 98.56(4) 9_656 2_655 ?
Se2 Cs1 Se2 81.44(4) . 2_655 ?
Se2 Cs1 Se2 180.00(3) 10_556 2_655 ?
Cs2 Cs1 Se2 112.32(2) 5 9_556 ?
Cs2 Cs1 Se2 67.68(2) 5_545 9_556 ?
Se2 Cs1 Se2 81.44(4) 10_656 9_556 ?
Se2 Cs1 Se2 98.56(4) 2 9_556 ?
Se2 Cs1 Se2 64.07(3) 9_656 9_556 ?
Se2 Cs1 Se2 115.93(3) . 9_556 ?
Se2 Cs1 Se2 44.65(4) 10_556 9_556 ?
Se2 Cs1 Se2 135.35(4) 2_655 9_556 ?
Cs2 Cs1 Se2 67.68(2) 5 1_655 ?
Cs2 Cs1 Se2 112.32(2) 5_545 1_655 ?
Se2 Cs1 Se2 98.56(4) 10_656 1_655 ?
Se2 Cs1 Se2 81.44(4) 2 1_655 ?
Se2 Cs1 Se2 115.93(3) 9_656 1_655 ?
Se2 Cs1 Se2 64.07(3) . 1_655 ?
Se2 Cs1 Se2 135.35(4) 10_556 1_655 ?
Se2 Cs1 Se2 44.65(4) 2_655 1_655 ?
Se2 Cs1 Se2 180.0 9_556 1_655 ?
Cs2 Cs1 Cs1 90.0 5 1_455 ?
Cs2 Cs1 Cs1 90.0 5_545 1_455 ?
Se2 Cs1 Cs1 122.033(14) 10_656 1_455 ?
Se2 Cs1 Cs1 57.967(14) 2 1_455 ?
Se2 Cs1 Cs1 122.033(14) 9_656 1_455 ?
Se2 Cs1 Cs1 57.967(14) . 1_455 ?
Se2 Cs1 Cs1 57.967(14) 10_556 1_455 ?
Se2 Cs1 Cs1 122.033(14) 2_655 1_455 ?
Se2 Cs1 Cs1 57.967(14) 9_556 1_455 ?
Se2 Cs1 Cs1 122.033(14) 1_655 1_455 ?
Cs2 Cs1 Cs1 90.0 5 1_655 ?
Cs2 Cs1 Cs1 90.0 5_545 1_655 ?
Se2 Cs1 Cs1 57.967(14) 10_656 1_655 ?
Se2 Cs1 Cs1 122.033(14) 2 1_655 ?
Se2 Cs1 Cs1 57.967(14) 9_656 1_655 ?
Se2 Cs1 Cs1 122.033(14) . 1_655 ?
Se2 Cs1 Cs1 122.033(14) 10_556 1_655 ?
Se2 Cs1 Cs1 57.967(14) 2_655 1_655 ?
Se2 Cs1 Cs1 122.033(14) 9_556 1_655 ?
Se2 Cs1 Cs1 57.967(14) 1_655 1_655 ?
Cs1 Cs1 Cs1 180.0 1_455 1_655 ?
Cs1 Cs2 Cs1 180.0 5_454 5_444 ?
Cs1 Cs2 Se2 69.27(2) 5_454 13 ?
Cs1 Cs2 Se2 110.73(2) 5_444 13 ?
Cs1 Cs2 Se2 110.73(2) 5_454 5_444 ?
Cs1 Cs2 Se2 69.27(2) 5_444 5_444 ?
Se2 Cs2 Se2 180.00(3) 13 5_444 ?
Cs1 Cs2 Se2 110.73(2) 5_454 14_545 ?
Cs1 Cs2 Se2 69.27(2) 5_444 14_545 ?
Se2 Cs2 Se2 41.45(4) 13 14_545 ?
Se2 Cs2 Se2 138.55(4) 5_444 14_545 ?
Cs1 Cs2 Se2 69.27(2) 5_454 6_454 ?
Cs1 Cs2 Se2 110.73(2) 5_444 6_454 ?
Se2 Cs2 Se2 138.55(4) 13 6_454 ?
Se2 Cs2 Se2 41.45(4) 5_444 6_454 ?
Se2 Cs2 Se2 180.00(5) 14_545 6_454 ?
Cs1 Cs2 Se2 69.27(2) 5_454 13_455 ?
Cs1 Cs2 Se2 110.73(2) 5_444 13_455 ?
Se2 Cs2 Se2 64.86(3) 13 13_455 ?
Se2 Cs2 Se2 115.14(3) 5_444 13_455 ?
Se2 Cs2 Se2 79.96(4) 14_545 13_455 ?
Se2 Cs2 Se2 100.04(4) 6_454 13_455 ?
Cs1 Cs2 Se2 110.73(2) 5_454 5_544 ?
Cs1 Cs2 Se2 69.27(2) 5_444 5_544 ?
Se2 Cs2 Se2 115.14(3) 13 5_544 ?
Se2 Cs2 Se2 64.86(3) 5_444 5_544 ?
Se2 Cs2 Se2 100.04(4) 14_545 5_544 ?
Se2 Cs2 Se2 79.96(4) 6_454 5_544 ?
Se2 Cs2 Se2 180.00(3) 13_455 5_544 ?
Cs1 Cs2 Se2 110.73(2) 5_454 14_445 ?
Cs1 Cs2 Se2 69.27(2) 5_444 14_445 ?
Se2 Cs2 Se2 79.96(4) 13 14_445 ?
Se2 Cs2 Se2 100.04(4) 5_444 14_445 ?
Se2 Cs2 Se2 64.86(3) 14_545 14_445 ?
Se2 Cs2 Se2 115.14(3) 6_454 14_445 ?
Se2 Cs2 Se2 41.45(4) 13_455 14_445 ?
Se2 Cs2 Se2 138.55(4) 5_544 14_445 ?
Cs1 Cs2 Se2 69.27(2) 5_454 6_554 ?
Cs1 Cs2 Se2 110.73(2) 5_444 6_554 ?
Se2 Cs2 Se2 100.04(4) 13 6_554 ?
Se2 Cs2 Se2 79.96(4) 5_444 6_554 ?
Se2 Cs2 Se2 115.14(3) 14_545 6_554 ?
Se2 Cs2 Se2 64.86(3) 6_454 6_554 ?
Se2 Cs2 Se2 138.55(4) 13_455 6_554 ?
Se2 Cs2 Se2 41.45(4) 5_544 6_554 ?
Se2 Cs2 Se2 180.00(5) 14_445 6_554 ?
Cs1 Cs2 Cs2 90.0 5_454 1_455 ?
Cs1 Cs2 Cs2 90.0 5_444 1_455 ?
Se2 Cs2 Cs2 122.431(14) 13 1_455 ?
Se2 Cs2 Cs2 57.569(14) 5_444 1_455 ?
Se2 Cs2 Cs2 122.431(14) 14_545 1_455 ?
Se2 Cs2 Cs2 57.569(14) 6_454 1_455 ?
Se2 Cs2 Cs2 57.569(14) 13_455 1_455 ?
Se2 Cs2 Cs2 122.431(14) 5_544 1_455 ?
Se2 Cs2 Cs2 57.569(14) 14_445 1_455 ?
Se2 Cs2 Cs2 122.431(14) 6_554 1_455 ?
Cs1 Cs2 Cs2 90.0 5_454 1_655 ?
Cs1 Cs2 Cs2 90.0 5_444 1_655 ?
Se2 Cs2 Cs2 57.569(14) 13 1_655 ?
Se2 Cs2 Cs2 122.431(14) 5_444 1_655 ?
Se2 Cs2 Cs2 57.569(14) 14_545 1_655 ?
Se2 Cs2 Cs2 122.431(14) 6_454 1_655 ?
Se2 Cs2 Cs2 122.431(14) 13_455 1_655 ?
Se2 Cs2 Cs2 57.569(14) 5_544 1_655 ?
Se2 Cs2 Cs2 122.431(14) 14_445 1_655 ?
Se2 Cs2 Cs2 57.569(14) 6_554 1_655 ?
Cs2 Cs2 Cs2 180.0 1_455 1_655 ?
Se1 Np1 Se1 88.69(6) . 1_455 y
Se1 Np1 Se2 152.08(3) . 14_445 y
Se1 Np1 Se2 85.20(4) 1_455 14_445 ?
Se1 Np1 Se2 152.08(3) . 13_455 ?
Se1 Np1 Se2 85.20(4) 1_455 13_455 ?
Se2 Np1 Se2 54.33(6) 14_445 13_455 y
Se1 Np1 Se2 85.20(4) . 13 ?
Se1 Np1 Se2 152.08(3) 1_455 13 ?
Se2 Np1 Se2 111.98(6) 14_445 13 ?
Se2 Np1 Se2 87.56(4) 13_455 13 ?
Se1 Np1 Se2 85.20(4) . 14_545 ?
Se1 Np1 Se2 152.08(3) 1_455 14_545 ?
Se2 Np1 Se2 87.56(4) 14_445 14_545 ?
Se2 Np1 Se2 111.98(6) 13_455 14_545 ?
Se2 Np1 Se2 54.33(6) 13 14_545 ?
Se1 Np1 Se1 75.83(2) . 13 ?
Se1 Np1 Se1 75.83(2) 1_455 13 ?
Se2 Np1 Se1 128.35(3) 14_445 13 ?
Se2 Np1 Se1 76.26(4) 13_455 13 ?
Se2 Np1 Se1 76.26(4) 13 13 ?
Se2 Np1 Se1 128.35(3) 14_545 13 ?
Se1 Np1 Se1 75.83(2) . 13_545 ?
Se1 Np1 Se1 75.83(2) 1_455 13_545 ?
Se2 Np1 Se1 76.26(4) 14_445 13_545 ?
Se2 Np1 Se1 128.35(3) 13_455 13_545 ?
Se2 Np1 Se1 128.35(3) 13 13_545 ?
Se2 Np1 Se1 76.26(4) 14_545 13_545 ?
Se1 Np1 Se1 139.97(7) 13 13_545 ?
Se1 Np1 Np1 45.66(3) . 1_655 ?
Se1 Np1 Np1 134.34(3) 1_455 1_655 ?
Se2 Np1 Np1 133.78(2) 14_445 1_655 ?
Se2 Np1 Np1 133.78(2) 13_455 1_655 ?
Se2 Np1 Np1 46.22(2) 13 1_655 ?
Se2 Np1 Np1 46.22(2) 14_545 1_655 ?
Se1 Np1 Np1 90.0 13 1_655 ?
Se1 Np1 Np1 90.0 13_545 1_655 ?
Se1 Np1 Np1 134.34(3) . 1_455 ?
Se1 Np1 Np1 45.66(3) 1_455 1_455 ?
Se2 Np1 Np1 46.22(2) 14_445 1_455 ?
Se2 Np1 Np1 46.22(2) 13_455 1_455 ?
Se2 Np1 Np1 133.78(2) 13 1_455 ?
Se2 Np1 Np1 133.78(2) 14_545 1_455 ?
Se1 Np1 Np1 90.0 13 1_455 ?
Se1 Np1 Np1 90.0 13_545 1_455 ?
Np1 Np1 Np1 180.00(2) 1_655 1_455 ?
Se1 Np1 Cs2 135.66(3) . . ?
Se1 Np1 Cs2 135.66(3) 1_455 . ?
Se2 Np1 Cs2 55.99(3) 14_445 . ?
Se2 Np1 Cs2 55.99(3) 13_455 . ?
Se2 Np1 Cs2 55.99(3) 13 . ?
Se2 Np1 Cs2 55.99(3) 14_545 . ?
Se1 Np1 Cs2 110.01(4) 13 . ?
Se1 Np1 Cs2 110.01(4) 13_545 . ?
Np1 Np1 Cs2 90.0 1_655 . ?
Np1 Np1 Cs2 90.0 1_455 . ?
Np1 Se1 Np1 88.69(6) . 1_655 ?
Np1 Se1 Np1 104.17(2) . 13 ?
Np1 Se1 Np1 104.17(2) 1_655 13 ?
Np1 Se1 Np1 104.17(2) . 13_545 ?
Np1 Se1 Np1 104.17(2) 1_655 13_545 ?
Np1 Se1 Np1 139.97(7) 13 13_545 ?
Se2 Se2 Se2 180.00(6) 2_565 2 ?
Se2 Se2 Np1 62.83(3) 2_565 13_455 ?
Se2 Se2 Np1 117.17(3) 2 13_455 ?
Se2 Se2 Np1 62.83(3) 2_565 13 ?
Se2 Se2 Np1 117.17(3) 2 13 ?
Np1 Se2 Np1 87.56(4) 13_455 13 ?
Se2 Se2 Cs2 69.27(2) 2_565 5 ?
Se2 Se2 Cs2 110.73(2) 2 5 ?
Np1 Se2 Cs2 129.65(5) 13_455 5 ?
Np1 Se2 Cs2 84.03(3) 13 5 ?
Se2 Se2 Cs2 69.27(2) 2_565 5_455 ?
Se2 Se2 Cs2 110.73(2) 2 5_455 ?
Np1 Se2 Cs2 84.03(3) 13_455 5_455 ?
Np1 Se2 Cs2 129.65(5) 13 5_455 ?
Cs2 Se2 Cs2 64.86(3) 5 5_455 ?
Se2 Se2 Cs1 112.32(2) 2_565 . ?
Se2 Se2 Cs1 67.68(2) 2 . ?
Np1 Se2 Cs1 164.64(4) 13_455 . ?
Np1 Se2 Cs1 103.32(2) 13 . ?
Cs2 Se2 Cs1 43.048(17) 5 . ?
Cs2 Se2 Cs1 80.68(3) 5_455 . ?
Se2 Se2 Cs1 112.32(2) 2_565 1_455 ?
Se2 Se2 Cs1 67.68(2) 2 1_455 ?
Np1 Se2 Cs1 103.32(2) 13_455 1_455 ?
Np1 Se2 Cs1 164.64(4) 13 1_455 ?
Cs2 Se2 Cs1 80.68(3) 5 1_455 ?
Cs2 Se2 Cs1 43.048(17) 5_455 1_455 ?
Cs1 Se2 Cs1 64.07(3) . 1_455 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Cs2 2.7594(6) 5 ?
Cs1 Cs2 2.7594(6) 5_545 ?
Cs1 Se2 3.7807(13) 10_656 y
Cs1 Se2 3.7807(13) 2 ?
Cs1 Se2 3.7807(13) 9_656 ?
Cs1 Se2 3.7807(13) . ?
Cs1 Se2 3.7807(13) 10_556 ?
Cs1 Se2 3.7807(13) 2_655 ?
Cs1 Se2 3.7807(13) 9_556 ?
Cs1 Se2 3.7807(13) 1_655 ?
Cs1 Cs1 4.0107(10) 1_455 ?
Cs1 Cs1 4.0107(10) 1_655 ?
Cs2 Cs1 2.7594(6) 5_454 ?
Cs2 Cs1 2.7594(6) 5_444 ?
Cs2 Se2 3.7394(13) 13 y
Cs2 Se2 3.7394(13) 5_444 ?
Cs2 Se2 3.7394(13) 14_545 ?
Cs2 Se2 3.7394(13) 6_454 ?
Cs2 Se2 3.7394(13) 13_455 ?
Cs2 Se2 3.7394(13) 5_544 ?
Cs2 Se2 3.7394(13) 14_445 ?
Cs2 Se2 3.7394(13) 6_554 ?
Cs2 Cs2 4.0107(10) 1_455 ?
Cs2 Cs2 4.0107(10) 1_655 ?
Np1 Se1 2.8690(15) . y
Np1 Se1 2.8690(15) 1_455 ?
Np1 Se2 2.8984(12) 14_445 y
Np1 Se2 2.8984(12) 13_455 ?
Np1 Se2 2.8984(12) 13 ?
Np1 Se2 2.8984(12) 14_545 ?
Np1 Se1 2.9367(9) 13 y
Np1 Se1 2.9367(9) 13_545 ?
Np1 Np1 4.0107(10) 1_655 ?
Np1 Np1 4.0107(10) 1_455 ?
Se1 Np1 2.8690(15) 1_655 ?
Se1 Np1 2.9367(9) 13 ?
Se1 Np1 2.9367(9) 13_545 ?
Se2 Se2 2.647(3) 2_565 y
Se2 Se2 2.872(3) 2 y
Se2 Np1 2.8984(12) 13_455 ?
Se2 Np1 2.8984(12) 13 ?
Se2 Cs2 3.7394(13) 5 ?
Se2 Cs2 3.7394(13) 5_455 ?
Se2 Cs1 3.7807(13) 1_455 ?
