#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:49:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179492 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/89/4338937.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_4338937
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         'La3 Lu Se6'
_chemical_formula_sum            'La3 Lu Se6'
_chemical_formula_weight         1065.46
_chemical_name_common            'lanthanum 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                   14.6195(10)
_cell_length_b                   17.5736(12)
_cell_length_c                   4.1542(3)
_cell_measurement_reflns_used    7258
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      1.81
_cell_volume                     1067.29(13)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            7033
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    41.324
_exptl_absorpt_correction_T_max  0.32905
_exptl_absorpt_correction_T_min  0.09469
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.631
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.168
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.028
_refine_diff_density_max         3.454
_refine_diff_density_min         -1.768
_refine_diff_density_rms         0.409
_refine_ls_extinction_coef       0.00085(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         1497
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0273
_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)+(0.0286P)²+7.8410P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                1386
_reflns_number_total             1497
_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               4338937
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
La1 La 0.04906(4) 0.21859(3) 0.0000 0.00650(14) Uani 1 2 d S
La2 La 0.74828(4) 0.59977(3) 0.0000 0.00737(14) Uani 1 2 d S
La3 La 0.18086(3) 0.65120(3) 0.0000 0.00551(14) Uani 1 2 d S
Lu1 Lu 0.5000 0.5000 0.0000 0.00765(14) Uani 1 4 d S
Lu2 Lu 0.5000 0.0000 0.0000 0.00796(15) Uani 1 4 d S
Se1 Se 0.09090(6) 0.92147(5) 0.0000 0.0070(2) Uani 1 2 d S
Se2 Se 0.37451(6) 0.60983(5) 0.0000 0.0088(2) Uani 1 2 d S
Se3 Se 0.39505(7) 0.25435(5) 0.0000 0.0079(2) Uani 1 2 d S
Se4 Se 0.31246(6) 0.02363(5) 0.0000 0.0075(2) Uani 1 2 d S
Se5 Se 0.02329(6) 0.39487(5) 0.0000 0.0077(2) Uani 1 2 d S
Se6 Se 0.31338(6) 0.78976(5) 0.0000 0.0074(2) 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'
La La -0.2871 2.4523 '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 La1 Se2 86.35(3) 3_544 3_545
Se2 La1 Se3 84.58(2) 3_544 7_565
Se2 La1 Se3 145.32(3) 3_545 7_565
Se2 La1 Se3 145.32(3) 3_544 7_566
Se2 La1 Se3 84.58(2) 3_545 7_566
Se3 La1 Se3 84.14(3) 7_565 7_566
Se2 La1 Se5 132.021(18) 3_544 .
Se2 La1 Se5 132.021(18) 3_545 .
Se3 La1 Se5 76.11(2) 7_565 .
Se3 La1 Se5 76.11(2) 7_566 .
Se2 La1 Se6 117.79(3) 3_544 3_545
Se2 La1 Se6 64.14(2) 3_545 3_545
Se3 La1 Se6 147.63(3) 7_565 3_545
Se3 La1 Se6 87.76(2) 7_566 3_545
Se5 La1 Se6 71.51(2) . 3_545
Se2 La1 Se6 64.14(2) 3_544 3_544
Se2 La1 Se6 117.79(3) 3_545 3_544
Se3 La1 Se6 87.76(2) 7_565 3_544
Se3 La1 Se6 147.63(3) 7_566 3_544
Se5 La1 Se6 71.51(2) . 3_544
Se6 La1 Se6 82.51(3) 3_545 3_544
Se2 La1 Se1 75.59(2) 3_544 5_565
Se2 La1 Se1 75.59(2) 3_545 5_565
Se3 La1 Se1 69.74(2) 7_565 5_565
Se3 La1 Se1 69.74(2) 7_566 5_565
Se5 La1 Se1 133.33(3) . 5_565
Se6 La1 Se1 135.515(16) 3_545 5_565
Se6 La1 Se1 135.515(16) 3_544 5_565
Se2 La1 La3 131.188(17) 3_544 5_565
Se2 La1 La3 131.188(17) 3_545 5_565
Se3 La1 La3 46.627(15) 7_565 5_565
Se3 La1 La3 46.627(15) 7_566 5_565
Se5 La1 La3 48.82(2) . 5_565
Se6 La1 La3 107.71(2) 3_545 5_565
Se6 La1 La3 107.71(2) 3_544 5_565
Se1 La1 La3 84.51(2) 5_565 5_565
Se2 La1 La1 133.174(14) 3_544 1_556
Se2 La1 La1 46.824(14) 3_545 1_556
Se3 La1 La1 132.068(14) 7_565 1_556
Se3 La1 La1 47.933(14) 7_566 1_556
Se5 La1 La1 90.0 . 1_556
Se6 La1 La1 48.746(13) 3_545 1_556
Se6 La1 La1 131.254(13) 3_544 1_556
Se1 La1 La1 90.0 5_565 1_556
La3 La1 La1 90.0 5_565 1_556
Se2 La1 La1 46.824(14) 3_544 1_554
Se2 La1 La1 133.174(14) 3_545 1_554
Se3 La1 La1 47.933(14) 7_565 1_554
Se3 La1 La1 132.068(14) 7_566 1_554
Se5 La1 La1 90.0 . 1_554
Se6 La1 La1 131.254(13) 3_545 1_554
Se6 La1 La1 48.746(13) 3_544 1_554
Se1 La1 La1 90.0 5_565 1_554
La3 La1 La1 90.0 5_565 1_554
La1 La1 La1 180.0 1_556 1_554
Se6 La2 Se6 87.70(3) 7_676 7_675
Se6 La2 Se1 140.56(3) 7_676 7_675
Se6 La2 Se1 81.40(2) 7_675 7_675
Se6 La2 Se1 81.40(2) 7_676 7_676
Se6 La2 Se1 140.56(3) 7_675 7_676
Se1 La2 Se1 83.41(3) 7_675 7_676
Se6 La2 Se4 144.01(3) 7_676 7_665
Se6 La2 Se4 83.93(2) 7_675 7_665
Se1 La2 Se4 72.43(2) 7_675 7_665
Se1 La2 Se4 125.21(3) 7_676 7_665
Se6 La2 Se4 83.93(2) 7_676 7_666
Se6 La2 Se4 144.01(3) 7_675 7_666
Se1 La2 Se4 125.21(3) 7_675 7_666
Se1 La2 Se4 72.43(2) 7_676 7_666
Se4 La2 Se4 82.64(3) 7_665 7_666
Se6 La2 Se3 72.51(2) 7_676 5_665
Se6 La2 Se3 72.51(2) 7_675 5_665
Se1 La2 Se3 68.05(2) 7_675 5_665
Se1 La2 Se3 68.05(2) 7_676 5_665
Se4 La2 Se3 136.257(15) 7_665 5_665
Se4 La2 Se3 136.257(15) 7_666 5_665
Se6 La2 Se5 70.39(2) 7_676 5_665
Se6 La2 Se5 70.39(2) 7_675 5_665
Se1 La2 Se5 137.734(14) 7_675 5_665
Se1 La2 Se5 137.734(14) 7_676 5_665
Se4 La2 Se5 73.82(2) 7_665 5_665
Se4 La2 Se5 73.82(2) 7_666 5_665
Se3 La2 Se5 127.64(3) 5_665 5_665
Se6 La2 Lu1 124.576(18) 7_676 .
Se6 La2 Lu1 124.576(18) 7_675 .
Se1 La2 Lu1 44.308(14) 7_675 .
Se1 La2 Lu1 44.308(14) 7_676 .
Se4 La2 Lu1 88.21(2) 7_665 .
Se4 La2 Lu1 88.21(2) 7_666 .
Se3 La2 Lu1 76.52(2) 5_665 .
Se5 La2 Lu1 155.83(2) 5_665 .
Se6 La2 La2 46.150(14) 7_676 1_556
Se6 La2 La2 133.850(14) 7_675 1_556
Se1 La2 La2 131.703(13) 7_675 1_556
Se1 La2 La2 48.295(13) 7_676 1_556
Se4 La2 La2 131.319(13) 7_665 1_556
Se4 La2 La2 48.682(13) 7_666 1_556
Se3 La2 La2 90.0 5_665 1_556
Se5 La2 La2 90.0 5_665 1_556
Lu1 La2 La2 90.0 . 1_556
Se6 La2 La2 133.850(14) 7_676 1_554
Se6 La2 La2 46.150(14) 7_675 1_554
Se1 La2 La2 48.295(13) 7_675 1_554
Se1 La2 La2 131.703(13) 7_676 1_554
Se4 La2 La2 48.682(13) 7_665 1_554
Se4 La2 La2 131.319(13) 7_666 1_554
Se3 La2 La2 90.0 5_665 1_554
Se5 La2 La2 90.0 5_665 1_554
Lu1 La2 La2 90.0 . 1_554
La2 La2 La2 180.0 1_556 1_554
Se2 La3 Se3 120.89(2) . 3
Se2 La3 Se3 120.89(2) . 3_554
Se3 La3 Se3 88.68(3) 3 3_554
Se2 La3 Se4 77.68(2) . 3_554
Se3 La3 Se4 159.05(3) 3 3_554
Se3 La3 Se4 89.104(19) 3_554 3_554
Se2 La3 Se4 77.68(2) . 3
Se3 La3 Se4 89.104(19) 3 3
Se3 La3 Se4 159.05(3) 3_554 3
Se4 La3 Se4 85.57(3) 3_554 3
Se2 La3 Se5 150.42(3) . 5_565
Se3 La3 Se5 78.42(2) 3 5_565
Se3 La3 Se5 78.42(2) 3_554 5_565
Se4 La3 Se5 80.73(2) 3_554 5_565
Se4 La3 Se5 80.73(2) 3 5_565
Se2 La3 Se6 65.89(3) . .
Se3 La3 Se6 75.83(2) 3 .
Se3 La3 Se6 75.83(2) 3_554 .
Se4 La3 Se6 123.63(2) 3_554 .
Se4 La3 Se6 123.63(2) 3 .
Se5 La3 Se6 143.69(3) 5_565 .
Se2 La3 La1 160.16(3) . 5_565
Se3 La3 La1 49.313(16) 3 5_565
Se3 La3 La1 49.313(16) 3_554 5_565
Se4 La3 La1 116.04(2) 3_554 5_565
Se4 La3 La1 116.04(2) 3 5_565
Se5 La3 La1 49.42(2) 5_565 5_565
Se6 La3 La1 94.26(2) . 5_565
Se2 La3 La3 90.0 . 1_554
Se3 La3 La3 134.342(14) 3 1_554
Se3 La3 La3 45.658(14) 3_554 1_554
Se4 La3 La3 47.212(14) 3_554 1_554
Se4 La3 La3 132.786(14) 3 1_554
Se5 La3 La3 90.0 5_565 1_554
Se6 La3 La3 90.0 . 1_554
La1 La3 La3 90.0 5_565 1_554
Se2 La3 La3 90.0 . 1_556
Se3 La3 La3 45.658(14) 3 1_556
Se3 La3 La3 134.342(14) 3_554 1_556
Se4 La3 La3 132.786(14) 3_554 1_556
Se4 La3 La3 47.212(14) 3 1_556
Se5 La3 La3 90.0 5_565 1_556
Se6 La3 La3 90.0 . 1_556
La1 La3 La3 90.0 5_565 1_556
La3 La3 La3 180.0 1_554 1_556
Se2 Lu1 Se2 180.0 5_665 .
Se2 Lu1 Se1 91.72(2) 5_665 7_676
Se2 Lu1 Se1 88.28(2) . 7_676
Se2 Lu1 Se1 91.72(2) 5_665 7_675
Se2 Lu1 Se1 88.28(2) . 7_675
Se1 Lu1 Se1 94.63(3) 7_676 7_675
Se2 Lu1 Se1 88.28(2) 5_665 3_544
Se2 Lu1 Se1 91.72(2) . 3_544
Se1 Lu1 Se1 179.999(1) 7_676 3_544
Se1 Lu1 Se1 85.37(3) 7_675 3_544
Se2 Lu1 Se1 88.28(2) 5_665 3_545
Se2 Lu1 Se1 91.72(2) . 3_545
Se1 Lu1 Se1 85.37(3) 7_676 3_545
Se1 Lu1 Se1 180.0 7_675 3_545
Se1 Lu1 Se1 94.63(3) 3_544 3_545
Se2 Lu1 La2 72.24(2) 5_665 .
Se2 Lu1 La2 107.76(2) . .
Se1 Lu1 La2 50.515(15) 7_676 .
Se1 Lu1 La2 50.515(15) 7_675 .
Se1 Lu1 La2 129.486(15) 3_544 .
Se1 Lu1 La2 129.486(15) 3_545 .
Se2 Lu1 La2 107.76(2) 5_665 5_665
Se2 Lu1 La2 72.24(2) . 5_665
Se1 Lu1 La2 129.485(15) 7_676 5_665
Se1 Lu1 La2 129.485(15) 7_675 5_665
Se1 Lu1 La2 50.514(15) 3_544 5_665
Se1 Lu1 La2 50.514(15) 3_545 5_665
La2 Lu1 La2 180.0 . 5_665
Se4 Lu2 Se4 180.0 5_655 .
Se4 Lu2 Se5 88.77(2) 5_655 7_666
Se4 Lu2 Se5 91.23(2) . 7_666
Se4 Lu2 Se5 88.77(2) 5_655 7_665
Se4 Lu2 Se5 91.23(2) . 7_665
Se5 Lu2 Se5 95.74(3) 7_666 7_665
Se4 Lu2 Se5 91.23(2) 5_655 3_544
Se4 Lu2 Se5 88.77(2) . 3_544
Se5 Lu2 Se5 180.0 7_666 3_544
Se5 Lu2 Se5 84.26(3) 7_665 3_544
Se4 Lu2 Se5 91.23(2) 5_655 3_545
Se4 Lu2 Se5 88.77(2) . 3_545
Se5 Lu2 Se5 84.26(3) 7_666 3_545
Se5 Lu2 Se5 180.0 7_665 3_545
Se5 Lu2 Se5 95.74(3) 3_544 3_545
Lu1 Se1 Lu1 94.62(3) 3 3_554
Lu1 Se1 La2 85.177(12) 3 7_576
Lu1 Se1 La2 153.38(3) 3_554 7_576
Lu1 Se1 La2 153.38(3) 3 7_575
Lu1 Se1 La2 85.177(12) 3_554 7_575
La2 Se1 La2 83.41(3) 7_576 7_575
Lu1 Se1 La1 94.30(2) 3 5_565
Lu1 Se1 La1 94.30(2) 3_554 5_565
La2 Se1 La1 112.28(2) 7_576 5_565
La2 Se1 La1 112.28(2) 7_575 5_565
Lu1 Se2 La3 147.95(4) . .
Lu1 Se2 La1 101.70(3) . 3
La3 Se2 La1 101.53(3) . 3
Lu1 Se2 La1 101.70(3) . 3_554
La3 Se2 La1 101.53(3) . 3_554
La1 Se2 La1 86.35(3) 3 3_554
La3 Se3 La3 88.68(3) 3_544 3_545
La3 Se3 La1 146.42(4) 3_544 7_666
La3 Se3 La1 84.061(15) 3_545 7_666
La3 Se3 La1 84.061(15) 3_544 7_665
La3 Se3 La1 146.42(4) 3_545 7_665
La1 Se3 La1 84.14(3) 7_666 7_665
La3 Se3 La2 103.65(3) 3_544 5_665
La3 Se3 La2 103.65(3) 3_545 5_665
La1 Se3 La2 109.93(2) 7_666 5_665
La1 Se3 La2 109.93(2) 7_665 5_665
Lu2 Se4 La3 94.49(2) . 3_545
Lu2 Se4 La3 94.49(2) . 3_544
La3 Se4 La3 85.58(3) 3_545 3_544
Lu2 Se4 La2 101.05(3) . 7_565
La3 Se4 La2 164.45(4) 3_545 7_565
La3 Se4 La2 93.808(12) 3_544 7_565
Lu2 Se4 La2 101.05(3) . 7_566
La3 Se4 La2 93.808(12) 3_545 7_566
La3 Se4 La2 164.45(4) 3_544 7_566
La2 Se4 La2 82.63(3) 7_565 7_566
Lu2 Se5 Lu2 95.74(3) 3 3_554
Lu2 Se5 La3 93.17(2) 3 5_565
Lu2 Se5 La3 93.17(2) 3_554 5_565
Lu2 Se5 La1 132.032(14) 3 .
Lu2 Se5 La1 132.032(14) 3_554 .
La3 Se5 La1 81.76(3) 5_565 .
Lu2 Se5 La2 95.91(2) 3 5_665
Lu2 Se5 La2 95.91(2) 3_554 5_665
La3 Se5 La2 166.44(3) 5_565 5_665
La1 Se5 La2 84.68(3) . 5_665
La2 Se6 La2 87.70(3) 7_576 7_575
La2 Se6 La3 108.00(3) 7_576 .
La2 Se6 La3 108.00(3) 7_575 .
La2 Se6 La1 90.170(13) 7_576 3
La2 Se6 La1 156.43(4) 7_575 3
La3 Se6 La1 94.98(2) . 3
La2 Se6 La1 156.43(4) 7_576 3_554
La2 Se6 La1 90.170(13) 7_575 3_554
La3 Se6 La1 94.98(2) . 3_554
La1 Se6 La1 82.51(3) 3 3_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Se2 3.0357(8) 3_544
La1 Se2 3.0357(8) 3_545
La1 Se3 3.1001(8) 7_565
La1 Se3 3.1001(8) 7_566
La1 Se5 3.1207(11) .
La1 Se6 3.1500(8) 3_545
La1 Se6 3.1500(8) 3_544
La1 Se1 3.2007(11) 5_565
La1 La3 4.0664(7) 5_565
La1 La1 4.1542(3) 1_556
La1 La1 4.1542(3) 1_554
La2 Se6 2.9982(8) 7_676
La2 Se6 2.9982(8) 7_675
La2 Se1 3.1221(8) 7_675
La2 Se1 3.1221(8) 7_676
La2 Se4 3.1460(8) 7_665
La2 Se4 3.1460(8) 7_666
La2 Se3 3.3110(11) 5_665
La2 Se5 3.3408(11) 5_665
La2 Lu1 4.0310(6) .
La2 La2 4.1542(3) 1_556
La2 La2 4.1542(3) 1_554
La3 Se2 2.9229(11) .
La3 Se3 2.9718(7) 3
La3 Se3 2.9718(7) 3_554
La3 Se4 3.0578(8) 3_554
La3 Se4 3.0578(8) 3
La3 Se5 3.0925(11) 5_565
La3 Se6 3.1116(11) .
La3 La1 4.0664(7) 5_565
La3 La3 4.1542(3) 1_554
La3 La3 4.1542(3) 1_556
Lu1 Se2 2.6629(9) 5_665
Lu1 Se2 2.6629(9) .
Lu1 Se1 2.8257(6) 7_676
Lu1 Se1 2.8257(6) 7_675
Lu1 Se1 2.8257(6) 3_544
Lu1 Se1 2.8257(6) 3_545
Lu1 La2 4.0310(6) 5_665
Lu2 Se4 2.7731(9) 5_655
Lu2 Se4 2.7731(9) .
Lu2 Se5 2.8007(6) 7_666
Lu2 Se5 2.8007(6) 7_665
Lu2 Se5 2.8007(6) 3_544
Lu2 Se5 2.8007(6) 3_545
Se1 Lu1 2.8258(6) 3
Se1 Lu1 2.8258(6) 3_554
Se1 La2 3.1220(8) 7_576
Se1 La2 3.1220(8) 7_575
Se1 La1 3.2007(11) 5_565
Se2 La1 3.0356(8) 3
Se2 La1 3.0356(8) 3_554
Se3 La3 2.9719(7) 3_544
Se3 La3 2.9719(7) 3_545
Se3 La1 3.1001(8) 7_666
Se3 La1 3.1001(8) 7_665
Se3 La2 3.3110(11) 5_665
Se4 La3 3.0577(8) 3_545
Se4 La3 3.0577(8) 3_544
Se4 La2 3.1460(8) 7_565
Se4 La2 3.1460(8) 7_566
Se5 Lu2 2.8007(6) 3
Se5 Lu2 2.8007(6) 3_554
Se5 La3 3.0925(11) 5_565
Se5 La2 3.3409(11) 5_665
Se6 La2 2.9983(8) 7_576
Se6 La2 2.9983(8) 7_575
Se6 La1 3.1500(8) 3
Se6 La1 3.1500(8) 3_554
