#?? [heteng@dicp.ac.cn]
data_3LIB1N_publ

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2011-07-07T14:14

_pd_phase_name                         3LiB1N
_cell_length_a                         7.8984(7)
_cell_length_b                         7.0663(6)
_cell_length_c                         7.4985(6)
_cell_angle_alpha                      90.0
_cell_angle_beta                       93.339(4)
_cell_angle_gamma                      90.0
_cell_volume                           417.80(10)
_cell_measurement_temperature          298
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "P 1 21 1"

loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y+1/2,-z 

loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  B          6.0    0.000    0.000
 2.05450 23.2185 1.33260 1.02100 1.09790 60.3498 0.70680 0.14030 -0.1932 
  International_Tables_Vol_C
  H         32.0    0.000    0.000
 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 
  International_Tables_Vol_C
  N          4.0    0.000    0.000
 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 
  International_Tables_Vol_C
  Li         6.0    0.000    0.000
 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530 168.261 0.03770 
  International_Tables_Vol_C

_diffrn_radiation_probe                x-ray
_diffrn_radiation_type                 'Cu K\a'
_diffrn_measurement_device_type        Bruker_D8
_diffrn_radiation_wavelength_wt        1.00
_diffrn_radiation_wavelength           1.5406
_diffrn_ambient_temperature            298
_pd_proc_ls_prof_R_factor              0.0264
_pd_proc_ls_prof_wR_factor             0.0347
_pd_proc_ls_prof_wR_expected           0.0304
_refine_ls_R_Fsqd_factor               0.11371
_exptl_absorpt_correction_T_min        1.00000
_exptl_absorpt_correction_T_max        1.00000
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_ls_peak_cutoff 0.01000
_pd_proc_info_datetime                 2011-07-07T14:14:26
_pd_calc_method                        "Rietveld Refinement"
_pd_meas_2theta_range_min              10.018
_pd_meas_2theta_range_max              79.932
_pd_meas_2theta_range_inc              0.026
_pd_proc_2theta_range_min              10.21989
_pd_proc_2theta_range_max              80.13389
_pd_proc_2theta_range_inc              0.026
_pd_meas_number_of_points              2690
_pd_proc_number_of_points              2690
_refine_ls_shift/su_max                0.02
_refine_ls_shift/su_mean               0.01
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           30
_refine_ls_goodness_of_fit_all         1.15
_refine_ls_number_restraints           0
_refine_ls_matrix_type                 full
_reflns_number_total                   574
_reflns_limit_h_min                    0
_reflns_limit_h_max                    6
_reflns_limit_k_min                    0
_reflns_limit_k_max                    6
_reflns_limit_l_min                    -6
_reflns_limit_l_max                    6
_reflns_d_resolution_high              1.200
_reflns_d_resolution_low               7.885


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
B B1      0.2661(12)   0.5025(18)   0.8626(16)   1.0        Uiso   0.0205        2
H H1      0.1583(12)   0.5953(18)   0.9345(16)   1.0        Uiso   0.0205        2
H H2      0.3141(12)   0.5896(18)   0.7336(16)   1.0        Uiso   0.0205        2
H H3      0.2054(12)   0.3506(18)   0.8128(16)   1.0        Uiso   0.0205        2
H H4      0.3868(12)   0.4745(18)   0.9694(16)   1.0        Uiso   0.0205        2
B B2      0.0856(9)    0.3663(28)   0.3530(13)   1.0        Uiso   0.0205        2
H H5      0.0849(9)    0.4015(28)   0.5129(13)   1.0        Uiso   0.0205        2
H H6      0.0303(9)    0.5025(28)   0.2670(13)   1.0        Uiso   0.0205        2
H H7     -0.0038(9)    0.2279(28)   0.3186(13)   1.0        Uiso   0.0205        2
H H8      0.2310(9)    0.3332(28)   0.3134(13)   1.0        Uiso   0.0205        2
B B3      0.5595(12)   0.5212(16)   0.3836(14)   1.0        Uiso   0.0205        2
H H9      0.4914(12)   0.4985(16)   0.5247(14)   1.0        Uiso   0.0205        2
H H10     0.4829(12)   0.6428(16)   0.2948(14)   1.0        Uiso   0.0205        2
H H11     0.5570(12)   0.3721(16)   0.3002(14)   1.0        Uiso   0.0205        2
H H12     0.7066(12)   0.5716(16)   0.4147(14)   1.0        Uiso   0.0205        2
N N1      0.1860(6)    0.8618(7)    0.1890(7)    1.0        Uiso   0.03046       2
H H13     0.2345(15)   0.9202(11)   0.3070(7)    1.0        Uiso   0.03046       2
H H14     0.0571(7)    0.8853(12)   0.1827(14)   1.0        Uiso   0.03046       2
Li Li1     0.2403(24)   0.5655(5)    0.1793(23)   1.0        Uiso   0.0242        2
N N2      0.2573(7)    0.9648(10)   0.0418(8)    1.0        Uiso   0.03046       2
H H15     0.3875(6)    0.9597(20)   0.0599(11)   1.0        Uiso   0.03046       2
H H16     0.2226(16)   1.1048(8)    0.0514(14)   1.0        Uiso   0.03046       2
Li Li2     0.1822(20)   0.8618(25)  -0.2193(7)    1.0        Uiso   0.0242        2
Li Li3     0.3263(22)   0.3327(29)   0.5809(28)   1.0        Uiso   0.0242        2
 
_chemical_formula_sum                  "B3 H16 Li3 N2"
_chemical_formula_weight               97.39
_cell_formula_units_Z                  2

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  B1        H1              1.225  .      1_555  N
  B1        H2              1.225  .      1_555  N
  B1        H3              1.225  .      1_555  N
  B1        H4              1.225  .      1_555  N
  B1        Li1              2.437(16)  .      1_556  N
  B1        Li2              2.686(17)  .      1_556  N
  B1        Li3              2.499(21)  .      1_555  N
  H1        B1              1.225  .      1_555  N
  H1        Li1              1.922(17)  .      1_556  N
  H1        Li2              2.222(14)  .      1_556  N
  H2        B1              1.225  .      1_555  N
  H2        Li2              2.225(18)  .      1_556  N
  H2        Li3              2.151(19)  .      1_555  N
  H3        B1              1.225  .      1_555  N
  H3        Li3              2.036(24)  .      1_555  N
  H4        B1              1.225  .      1_555  N
  H4        Li1              2.108(15)  .      1_556  N
  H4        H15              1.811(11)  .      2_646  N
  B2        H5             1.225  .      1_555  N
  B2        H6              1.225  .      1_555  N
  B2        H7              1.225  .      1_555  N
  B2        H8             1.225  .      1_555  N
  B2        Li1              2.314(15)  .      1_555  N
  B2        Li2              2.288(13)  .      2_545  N
  B2        Li3              2.493(16)  .      1_555  N
  H5        B2             1.225  .      1_555  N
  H5        Li3              2.005(16)  .      1_555  N
  H6        B2              1.225  .      1_555  N
  H6        Li1              1.873(17)  .      1_555  N
  H6        Li2              1.966(18)  .      2_545  N
  H7        B2              1.225  .      1_555  N
  H7        Li2              1.820(14)  .      2_545  N
  H8        B2             1.225  .      1_555  N
  H8        Li1              1.928(17)  .      1_555  N
  H8        Li3              2.101(20)  .      1_555  N
  B3        H9              1.225  .      1_555  N
  B3        H10             1.225  .      1_555  N
  B3        H11             1.225  .      1_555  N
  B3        H12            1.225  .      1_555  N
  B3        Li1              2.889(21)  .      1_555  N
  B3        Li2              2.691(13)  .      2_645  N
  B3        Li3              2.770(19)  .      1_555  N
  B3        Li3              2.387(20)  .      2_656  N
  H9        B3              1.225  .      1_555  N
  H9        Li3              1.821(19)  .      1_555  N
  H10       B3              1.225  .      1_555  N
  H10       Li1              2.127(20)  .      1_555  N
  H10       Li3              2.185(19)  .      2_656  N
  H11       B3              1.225  .      1_555  N
  H11       Li2              2.182(15)  .      2_645  N
  H12       B3             1.225  .      1_555  N
  H12       Li2              2.295(13)  .      2_645  N
  H12       Li3              1.864(21)  .      2_656  N
  N1        H13             1.03  .      1_555  N
  N1        H14             1.03  .      1_555  N
  N1        Li1            2.140  .      1_555  N
  N1        N2              1.462  .      1_555  N
  H13       N1              1.03  .      1_555  N
  H13       Li1            2.685(10)  .      1_555  N
  H14       N1              1.03  .      1_555  N
  H14       Li1            2.683(12)  .      1_555  N
  Li1       B1               2.437(16)  .      1_554  N
  Li1       H1               1.922(17)  .      1_554  N
  Li1       H4               2.108(15)  .      1_554  N
  Li1       B2               2.314(15)  .      1_555  N
  Li1       H6               1.873(17)  .      1_555  N
  Li1       H8               1.928(17)  .      1_555  N
  Li1       B3               2.889(21)  .      1_555  N
  Li1       H10              2.127(20)  .      1_555  N
  Li1       N1             2.14  .      1_555  N
  Li1       H13            2.685(10)  .      1_555  N
  Li1       H14            2.683(12)  .      1_555  N
  Li1       Li3              3.464(22)  .      1_555  N
  N2        N1              1.462  .      1_555  N
  N2        H15            1.03  .      1_555  N
  N2        H16             1.03  .      1_555  N
  N2        Li2            2.14  .      1_555  N
  H15       H4               1.811(11)  .      2_656  N
  H15       N2             1.03  .      1_555  N
  H15       Li2            2.665(14)  .      1_555  N
  H16       N2             1.03  .      1_555  N
  H16       Li2            2.663(17)  .      1_555  N
  Li2       B1               2.686(17)  .      1_554  N
  Li2       H1               2.222(14)  .      1_554  N
  Li2       H2               2.225(18)  .      1_554  N
  Li2       B2               2.288(13)  .      2_555  N
  Li2       H6               1.966(18)  .      2_555  N
  Li2       H7               1.820(14)  .      2_555  N
  Li2       B3               2.691(13)  .      2_655  N
  Li2       H11              2.182(15)  .      2_655  N
  Li2       H12              2.295(13)  .      2_655  N
  Li2       N2             2.14  .      1_555  N
  Li2       H15            2.665(14)  .      1_555  N
  Li2       H16            2.663(17)  .      1_555  N
  Li3       B1               2.499(21)  .      1_555  N
  Li3       H2               2.151(19)  .      1_555  N
  Li3       H3               2.036(24)  .      1_555  N
  Li3       B2               2.493(16)  .      1_555  N
  Li3       H5               2.005(16)  .      1_555  N
  Li3       H8               2.101(20)  .      1_555  N
  Li3       B3               2.770(19)  .      1_555  N
  Li3       B3               2.387(20)  .      2_646  N
  Li3       H9               1.821(19)  .      1_555  N
  Li3       H10              2.185(19)  .      2_646  N
  Li3       H12              1.864(21)  .      2_646  N
  Li3       Li1              3.464(22)  .      1_555  N

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_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  H1        B1        H2              109.5      1_555  .      1_555  N
  H1        B1        H3              109.5      1_555  .      1_555  N
  H1        B1        H4              109.5      1_555  .      1_555  N
  H1        B1        Li1                51.2(4)      1_555  .      1_556  N
  H1        B1        Li3               143.2(5)      1_555  .      1_555  N
  H2        B1        H3              109.5      1_555  .      1_555  N
  H2        B1        H4              109.5      1_555  .      1_555  N
  H2        B1        Li1             136.49(34)      1_555  .      1_556  N
  H2        B1        Li3                59.4(6)      1_555  .      1_555  N
  H3        B1        H4              109.5      1_555  .      1_555  N
  H3        B1        Li1               113.8(4)      1_555  .      1_556  N
  H3        B1        Li3                54.0(6)      1_555  .      1_555  N
  H4        B1        Li1                59.9(5)      1_555  .      1_556  N
  H4        B1        Li3               107.2(5)      1_555  .      1_555  N
  Li1       B1        Li3               160.5(7)      1_556  .      1_555  N
  B1        H1        Li1                99.1(5)      1_555  .      1_556  N
  B1        H1        Li2                98.2(4)      1_555  .      1_556  N
  Li1       H1        Li2               123.7(6)      1_556  .      1_556  N
  B1        H2        Li2              98.02(30)      1_555  .      1_556  N
  B1        H2        Li3                91.3(7)      1_555  .      1_555  N
  Li2       H2        Li3               148.2(7)      1_556  .      1_555  N
  B1        H3        Li3                96.9(6)      1_555  .      1_555  N
  B1        H4        Li1                89.9(5)      1_555  .      1_556  N
  H5        B2        H6              109.5      1_555  .      1_555  N
  H5        B2        H7            109.5      1_555  .      1_555  N
  H5        B2        H8              109.5      1_555  .      1_555  N
  H5        B2        Li1               117.2(14)      1_555  .      1_555  N
  H5        B2        Li2               112.0(4)      1_555  .      2_545  N
  H5        B2        Li3                52.8(5)      1_555  .      1_555  N
  H6        B2        H7              109.5      1_555  .      1_555  N
  H6        B2        H8            109.5      1_555  .      1_555  N
  H6        B2        Li1                53.8(5)      1_555  .      1_555  N
  H6        B2        Li2                59.2(5)      1_555  .      2_545  N
  H6        B2        Li3               132.1(7)      1_555  .      1_555  N
  H7        B2        H8              109.5      1_555  .      1_555  N
  H7        B2        Li1               133.2(6)      1_555  .      1_555  N
  H7        B2        Li2                52.4(6)      1_555  .      2_545  N
  H7        B2        Li3               118.4(7)      1_555  .      1_555  N
  H8        B2        Li1                56.5(11)      1_555  .      1_555  N
  H8        B2        Li2               138.3(4)      1_555  .      2_545  N
  H8        B2        Li3                57.3(5)      1_555  .      1_555  N
  Li1       B2        Li2               105.5(8)      1_555  .      2_545  N
  Li1       B2        Li3                92.1(9)      1_555  .      1_555  N
  Li2       B2        Li3               161.4(8)      2_545  .      1_555  N
  B2        H5        Li3                98.1(7)      1_555  .      1_555  N
  B2        H6        Li1                94.3(6)      1_555  .      1_555  N
  B2        H6        Li2                88.4(5)      1_555  .      2_545  N
  Li1       H6        Li2               145.1(9)      1_555  .      2_545  N
  B2        H7        Li2                95.4(7)      1_555  .      2_545  N
  B2        H8        Li1                91.6(14)      1_555  .      1_555  N
  B2        H8        Li3                93.3(5)      1_555  .      1_555  N
  Li1       H8        Li3              118.5(12)      1_555  .      1_555  N
  H9        B3        H10             109.5      1_555  .      1_555  N
  H9        B3        H11             109.5      1_555  .      1_555  N
  H9        B3        H12             109.5      1_555  .      1_555  N
  H9        B3        Li3               101.9(7)      1_555  .      2_656  N
  H10       B3        H11             109.5      1_555  .      1_555  N
  H10       B3        H12             109.5      1_555  .      1_555  N
  H10       B3        Li3                65.5(5)      1_555  .      2_656  N
  H11       B3        H12           109.5      1_555  .      1_555  N
  H11       B3        Li3               147.6(7)      1_555  .      2_656  N
  H12       B3        Li3                50.4(5)      1_555  .      2_656  N
  B3        H9        Li3               129.8(6)      1_555  .      1_555  N
  B3        H10       Li1               116.5(9)      1_555  .      1_555  N
  B3        H10       Li3                83.8(5)      1_555  .      2_656  N
  Li1       H10       Li3               156.0(7)      1_555  .      2_656  N
  B3        H11       Li2               100.6(5)      1_555  .      2_645  N
  B3        H12       Li2                94.9(5)      1_555  .      2_645  N
  B3        H12       Li3                99.1(6)      1_555  .      2_656  N
  Li2       H12       Li3              135.2(11)      2_645  .      2_656  N
  H13       N1        H14             107.0      1_555  .      1_555  N
  H13       N1        Li1           110.9(7)      1_555  .      1_555  N
  H13       N1        N2              108.0      1_555  .      1_555  N
  H14       N1        Li1            110.8(7)      1_555  .      1_555  N
  H14       N1        N2              108.0      1_555  .      1_555  N
  Li1       N1        N2              112.0      1_555  .      1_555  N
  B1        Li1       H1               29.77(23)      1_554  .      1_554  N
  B1        Li1       H4               30.18(22)      1_554  .      1_554  N
  B1        Li1       B2                120.9(8)      1_554  .      1_555  N
  B1        Li1       H6               115.1(10)      1_554  .      1_555  N
  B1        Li1       H8                111.1(8)      1_554  .      1_555  N
  B1        Li1       H10               108.6(7)      1_554  .      1_555  N
  B1        Li1       N1                103.9(4)      1_554  .      1_555  N
  H1        Li1       H4                 59.3(4)      1_554  .      1_554  N
  H1        Li1       B2               116.4(10)      1_554  .      1_555  N
  H1        Li1       H6                96.0(10)      1_554  .      1_555  N
  H1        Li1       H8               124.8(10)      1_554  .      1_555  N
  H1        Li1       H10               127.3(7)      1_554  .      1_555  N
  H1        Li1       N1                 82.4(5)      1_554  .      1_555  N
  H4        Li1       B2                124.4(7)      1_554  .      1_555  N
  H4        Li1       H6               136.5(11)      1_554  .      1_555  N
  H4        Li1       H8                 99.7(7)      1_554  .      1_555  N
  H4        Li1       H10                82.0(7)      1_554  .      1_555  N
  H4        Li1       N1                116.3(4)      1_554  .      1_555  N
  B2        Li1       H6               32.0(7)      1_555  .      1_555  N
  B2        Li1       H8               31.9(5)      1_555  .      1_555  N
  B2        Li1       H10               114.8(8)      1_555  .      1_555  N
  B2        Li1       N1                117.6(7)      1_555  .      1_555  N
  H6        Li1       H8                 63.5(5)      1_555  .      1_555  N
  H6        Li1       H10              135.5(10)      1_555  .      1_555  N
  H6        Li1       N1                 92.1(8)      1_555  .      1_555  N
  H8        Li1       H10                93.9(8)      1_555  .      1_555  N
  H8        Li1       N1                143.3(8)      1_555  .      1_555  N
  H10       Li1       N1                 85.0(6)      1_555  .      1_555  N
  N1        N2        H15             108.0      1_555  .      1_555  N
  N1        N2        H16             108.0      1_555  .      1_555  N
  N1        N2        Li2             115.0      1_555  .      1_555  N
  H15       N2        H16           107.0      1_555  .      1_555  N
  H15       N2        Li2           109.4(8)      1_555  .      1_555  N
  H16       N2        Li2           109.2(9)      1_555  .      1_555  N
  H1        Li2       H2                 53.5(4)      1_554  .      1_554  N
  H1        Li2       B2                 97.7(7)      1_554  .      2_555  N
  H1        Li2       H6                115.2(8)      1_554  .      2_555  N
  H1        Li2       H7                 71.6(8)      1_554  .      2_555  N
  H1        Li2       H11               106.4(9)      1_554  .      2_655  N
  H1        Li2       H12               157.9(9)      1_554  .      2_655  N
  H1        Li2       N2                 80.9(4)      1_554  .      1_555  N
  H2        Li2       B2                111.8(7)      1_554  .      2_555  N
  H2        Li2       H6                144.2(7)      1_554  .      2_555  N
  H2        Li2       H7                 81.0(7)      1_554  .      2_555  N
  H2        Li2       H11                61.7(6)      1_554  .      2_655  N
  H2        Li2       H12               104.9(6)      1_554  .      2_655  N
  H2        Li2       N2                109.4(7)      1_554  .      1_555  N
  B2        Li2       H6               32.36(21)      2_555  .      2_555  N
  B2        Li2       H7               32.21(23)      2_555  .      2_555  N
  B2        Li2       H11             137.84(35)      2_555  .      2_655  N
  B2        Li2       H12                95.1(5)      2_555  .      2_655  N
  B2        Li2       N2                126.6(8)      2_555  .      1_555  N
  H6        Li2       H7                 63.6(4)      2_555  .      2_555  N
  H6        Li2       H11               137.9(8)      2_555  .      2_655  N
  H6        Li2       H12                84.9(7)      2_555  .      2_655  N
  H6        Li2       N2                100.5(8)      2_555  .      1_555  N
  H7        Li2       H11               128.6(6)      2_555  .      2_655  N
  H7        Li2       H12               113.0(4)      2_555  .      2_655  N
  H7        Li2       N2                135.9(7)      2_555  .      1_555  N
  H11       Li2       H12              53.01(29)      2_655  .      2_655  N
  H11       Li2       N2                 91.6(5)      2_655  .      1_555  N
  H12       Li2       N2                105.6(5)      2_655  .      1_555  N
  B1        Li3       H2               29.35(27)      1_555  .      1_555  N
  B1        Li3       H3               29.12(28)      1_555  .      1_555  N
  B1        Li3       B2                111.0(8)      1_555  .      1_555  N
  B1        Li3       H5                 82.7(8)      1_555  .      1_555  N
  B1        Li3       H8               137.0(10)      1_555  .      1_555  N
  B1        Li3       B3               115.9(10)      1_555  .      2_646  N
  B1        Li3       H9                 93.5(8)      1_555  .      1_555  N
  B1        Li3       H10                95.4(9)      1_555  .      2_646  N
  B1        Li3       H12              115.3(13)      1_555  .      2_646  N
  H2        Li3       H3                 57.0(5)      1_555  .      1_555  N
  H2        Li3       B2                103.2(9)      1_555  .      1_555  N
  H2        Li3       H5                 81.9(9)      1_555  .      1_555  N
  H2        Li3       H8               118.8(12)      1_555  .      1_555  N
  H2        Li3       B3               138.3(10)      1_555  .      2_646  N
  H2        Li3       H9                 68.6(8)      1_555  .      1_555  N
  H2        Li3       H10               110.0(9)      1_555  .      2_646  N
  H2        Li3       H12              144.6(15)      1_555  .      2_646  N
  H3        Li3       B2                101.7(8)      1_555  .      1_555  N
  H3        Li3       H5                 73.5(8)      1_555  .      1_555  N
  H3        Li3       H8                130.9(9)      1_555  .      1_555  N
  H3        Li3       B3                98.9(11)      1_555  .      2_646  N
  H3        Li3       H9               122.4(10)      1_555  .      1_555  N
  H3        Li3       H10               91.1(10)      1_555  .      2_646  N
  H3        Li3       H12               88.5(12)      1_555  .      2_646  N
  B2        Li3       H5               29.2(5)      1_555  .      1_555  N
  B2        Li3       H8               29.38(21)      1_555  .      1_555  N
  B2        Li3       B3               115.6(10)      1_555  .      2_646  N
  B2        Li3       H9               107.9(11)      1_555  .      1_555  N
  B2        Li3       H10              146.1(11)      1_555  .      2_646  N
  B2        Li3       H12                90.3(9)      1_555  .      2_646  N
  H5        Li3       H8                 58.3(5)      1_555  .      1_555  N
  H5        Li3       B3               126.8(12)      1_555  .      2_646  N
  H5        Li3       H9               117.9(14)      1_555  .      1_555  N
  H5        Li3       H10              151.6(15)      1_555  .      2_646  N
  H5        Li3       H12               96.5(11)      1_555  .      2_646  N
  H8        Li3       B3               102.7(10)      1_555  .      2_646  N
  H8        Li3       H9                90.0(11)      1_555  .      1_555  N
  H8        Li3       H10              127.5(12)      1_555  .      2_646  N
  H8        Li3       H12               88.6(10)      1_555  .      2_646  N
  B3        Li3       H9                110.4(9)      2_646  .      1_555  N
  B3        Li3       H10              30.67(27)      2_646  .      2_646  N
  B3        Li3       H12              30.44(32)      2_646  .      2_646  N
  H9        Li3       H10                90.5(8)      1_555  .      2_646  N
  H9        Li3       H12              138.1(12)      1_555  .      2_646  N
  H10       Li3       H12                58.6(6)      2_646  .      2_646  N



