# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lstb3m1
_database_code_depnum_ccdc_archive 'CCDC 1406528'
_audit_update_record             
;
2015-06-12 deposited with the CCDC.
2015-10-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B3 Li O9 Sr Tb2'
_chemical_formula_weight         588.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           164
_space_group_name_H-M_alt        'P -3 m 1'
_space_group_name_Hall           '-P 3 2"'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'

_cell_length_a                   10.3845(9)
_cell_length_b                   10.3845(9)
_cell_length_c                   6.4739(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     604.60(13)
_cell_formula_units_Z            3
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1680
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      27.3

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.852
_exptl_crystal_F_000             774
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    23.974
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed Tube'
_diffrn_measurement_device_type  
;
XtaLABmini: Fixed Chi 2 circle
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            5168
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         2.265
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             549
_reflns_number_gt                496
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0273P)²+7.6709P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0006(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         549
_refine_ls_number_parameters     52
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0732
_refine_ls_wR_factor_gt          0.0704
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.17709(3) 0.82291(3) 0.35818(8) 0.0123(2) Uani 1 2 d S T P . .
Sr2 Sr 0.0000 0.5000 0.0000 0.0086(3) Uani 1 4 d S T P . .
O1 O 0.1796(8) 0.5898(4) 0.3332(10) 0.0089(15) Uani 1 2 d S T P . .
O2 O 0.6260(8) -0.3014(7) 0.6906(8) 0.0192(13) Uani 1 1 d . . . . .
O3 O 0.1978(5) 0.8022(5) 0.0100(11) 0.019(2) Uani 1 2 d S T P . .
O4 O 0.124(2) 0.124(2) 0.5000 0.069(8) Uani 0.5 2 d S T P . .
B1 B 0.3333 0.6667 0.331(3) 0.009(4) Uani 1 6 d S T P . .
B2 B 0.1896(8) 0.8104(8) -0.1965(18) 0.013(3) Uani 1 2 d S T P . .
B3 B 0.0000 0.0000 0.5000 0.068(17) Uiso 1 12 d S . P . .
Li1 Li 0.0000 0.5000 0.5000 0.030(8) Uani 1 4 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Tb1 O3 2.285(8) . ?
Tb1 O4 2.357(15) 3_565 ?
Tb1 O4 2.357(15) 8_566 ?
Tb1 O2 2.388(6) 9_456 ?
Tb1 O2 2.388(6) 6_676 ?
Tb1 O1 2.439(5) . ?
Tb1 O1 2.439(10) 3_565 ?
Tb1 O2 2.464(5) 2 ?
Tb1 O2 2.464(5) 11_665 ?
Tb1 B1 2.8160(15) . ?
Tb1 B2 2.891(11) 1_556 ?
Tb1 Li1 3.0500(4) . ?
Sr2 O1 2.695(7) 7_565 ?
Sr2 O1 2.695(7) . ?
Sr2 O2 2.698(6) 9_456 ?
Sr2 O2 2.698(6) 3_664 ?
Sr2 O2 2.698(6) 11_664 ?
Sr2 O2 2.698(6) 5_456 ?
Sr2 O3 2.761(3) 8_455 ?
Sr2 O3 2.761(3) 2_665 ?
Sr2 O3 2.761(3) . ?
Sr2 O3 2.761(3) 7_565 ?
Sr2 B2 3.088(6) 7_565 ?
Sr2 B2 3.088(6) 8_455 ?
O1 B1 1.382(7) . ?
O1 Li1 1.943(7) . ?
O1 Tb1 2.439(5) 2_665 ?
O2 B2 1.395(8) 3_556 ?
O2 Li1 2.188(6) 2_655 ?
O2 Tb1 2.388(6) 8_546 ?
O2 Tb1 2.464(5) 3 ?
O2 Sr2 2.698(6) 2_656 ?
O3 B2 1.345(13) . ?
O3 Sr2 2.761(3) 3_565 ?
O4 B3 1.28(2) . ?
O4 O4 1.28(2) 9_556 ?
O4 O4 1.28(2) 8_556 ?
O4 Tb1 2.357(15) 9_656 ?
O4 Tb1 2.357(15) 2_665 ?
B1 O1 1.382(7) 3_565 ?
B1 O1 1.382(7) 2_665 ?
B1 Tb1 2.8160(14) 3_565 ?
B1 Tb1 2.8160(14) 2_665 ?
B2 O2 1.395(8) 11_664 ?
B2 O2 1.395(8) 2_554 ?
B2 Tb1 2.891(11) 1_554 ?
B2 Sr2 3.088(6) 3_565 ?
B3 O4 1.28(2) 7_556 ?
B3 O4 1.28(2) 9_556 ?
B3 O4 1.28(2) 2 ?
B3 O4 1.28(2) 8_556 ?
B3 O4 1.28(2) 3 ?
Li1 O1 1.943(7) 7_566 ?
Li1 O2 2.188(6) 11_665 ?
Li1 O2 2.188(6) 5_456 ?
Li1 O2 2.188(6) 9_456 ?
Li1 O2 2.188(6) 3_665 ?
Li1 Tb1 3.0500(4) 7_566 ?
Li1 Tb1 3.0501(4) 2_665 ?
Li1 Tb1 3.0501(4) 8_456 ?
Li1 Sr2 3.2369(4) 1_556 ?

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
O3 Tb1 O4 121.9(3) . 3_565 ?
O3 Tb1 O4 121.9(3) . 8_566 ?
O4 Tb1 O4 31.6(8) 3_565 8_566 ?
O3 Tb1 O2 84.38(13) . 9_456 ?
O4 Tb1 O2 67.2(4) 3_565 9_456 ?
O4 Tb1 O2 98.1(5) 8_566 9_456 ?
O3 Tb1 O2 84.38(13) . 6_676 ?
O4 Tb1 O2 98.1(5) 3_565 6_676 ?
O4 Tb1 O2 67.2(4) 8_566 6_676 ?
O2 Tb1 O2 152.4(3) 9_456 6_676 ?
O3 Tb1 O1 78.0(3) . . ?
O4 Tb1 O1 131.0(5) 3_565 . ?
O4 Tb1 O1 157.49(19) 8_566 . ?
O2 Tb1 O1 71.8(2) 9_456 . ?
O2 Tb1 O1 129.8(2) 6_676 . ?
O3 Tb1 O1 78.0(3) . 3_565 ?
O4 Tb1 O1 157.5(2) 3_565 3_565 ?
O4 Tb1 O1 131.0(5) 8_566 3_565 ?
O2 Tb1 O1 129.8(2) 9_456 3_565 ?
O2 Tb1 O1 71.8(2) 6_676 3_565 ?
O1 Tb1 O1 58.8(3) . 3_565 ?
O3 Tb1 O2 148.17(17) . 2 ?
O4 Tb1 O2 81.65(17) 3_565 2 ?
O4 Tb1 O2 65.9(4) 8_566 2 ?
O2 Tb1 O2 126.72(14) 9_456 2 ?
O2 Tb1 O2 70.2(2) 6_676 2 ?
O1 Tb1 O2 103.4(2) . 2 ?
O1 Tb1 O2 76.0(2) 3_565 2 ?
O3 Tb1 O2 148.17(17) . 11_665 ?
O4 Tb1 O2 65.9(4) 3_565 11_665 ?
O4 Tb1 O2 81.65(17) 8_566 11_665 ?
O2 Tb1 O2 70.2(2) 9_456 11_665 ?
O2 Tb1 O2 126.72(14) 6_676 11_665 ?
O1 Tb1 O2 76.0(2) . 11_665 ?
O1 Tb1 O2 103.4(2) 3_565 11_665 ?
O2 Tb1 O2 57.6(3) 2 11_665 ?
O3 Tb1 B1 77.0(5) . . ?
O4 Tb1 B1 154.5(5) 3_565 . ?
O4 Tb1 B1 154.5(5) 8_566 . ?
O2 Tb1 B1 100.95(17) 9_456 . ?
O2 Tb1 B1 100.95(17) 6_676 . ?
O1 Tb1 B1 29.40(17) . . ?
O1 Tb1 B1 29.40(17) 3_565 . ?
O2 Tb1 B1 89.0(4) 2 . ?
O2 Tb1 B1 89.0(4) 11_665 . ?
O3 Tb1 B2 166.1(4) . 1_556 ?
O4 Tb1 B2 71.4(3) 3_565 1_556 ?
O4 Tb1 B2 71.4(3) 8_566 1_556 ?
O2 Tb1 B2 98.47(14) 9_456 1_556 ?
O2 Tb1 B2 98.47(14) 6_676 1_556 ?
O1 Tb1 B2 89.9(3) . 1_556 ?
O1 Tb1 B2 89.9(3) 3_565 1_556 ?
O2 Tb1 B2 28.82(13) 2 1_556 ?
O2 Tb1 B2 28.82(13) 11_665 1_556 ?
B1 Tb1 B2 89.2(5) . 1_556 ?
O3 Tb1 Li1 103.11(11) . . ?
O4 Tb1 Li1 91.7(5) 3_565 . ?
O4 Tb1 Li1 119.5(2) 8_566 . ?
O2 Tb1 Li1 45.46(15) 9_456 . ?
O2 Tb1 Li1 162.14(15) 6_676 . ?
O1 Tb1 Li1 39.53(16) . . ?
O1 Tb1 Li1 93.67(17) 3_565 . ?
O2 Tb1 Li1 96.68(13) 2 . ?
O2 Tb1 Li1 45.23(14) 11_665 . ?
B1 Tb1 Li1 65.80(15) . . ?
B2 Tb1 Li1 70.51(13) 1_556 . ?
O1 Sr2 O1 180.0 7_565 . ?
O1 Sr2 O2 116.69(16) 7_565 9_456 ?
O1 Sr2 O2 63.31(16) . 9_456 ?
O1 Sr2 O2 63.31(16) 7_565 3_664 ?
O1 Sr2 O2 116.69(16) . 3_664 ?
O2 Sr2 O2 180.0 9_456 3_664 ?
O1 Sr2 O2 63.31(16) 7_565 11_664 ?
O1 Sr2 O2 116.69(16) . 11_664 ?
O2 Sr2 O2 102.7(3) 9_456 11_664 ?
O2 Sr2 O2 77.3(3) 3_664 11_664 ?
O1 Sr2 O2 116.69(16) 7_565 5_456 ?
O1 Sr2 O2 63.31(16) . 5_456 ?
O2 Sr2 O2 77.3(3) 9_456 5_456 ?
O2 Sr2 O2 102.7(3) 3_664 5_456 ?
O2 Sr2 O2 180.0 11_664 5_456 ?
O1 Sr2 O3 66.12(18) 7_565 8_455 ?
O1 Sr2 O3 113.88(18) . 8_455 ?
O2 Sr2 O3 51.97(19) 9_456 8_455 ?
O2 Sr2 O3 128.03(19) 3_664 8_455 ?
O2 Sr2 O3 70.2(2) 11_664 8_455 ?
O2 Sr2 O3 109.8(2) 5_456 8_455 ?
O1 Sr2 O3 113.88(18) 7_565 2_665 ?
O1 Sr2 O3 66.12(18) . 2_665 ?
O2 Sr2 O3 128.0(2) 9_456 2_665 ?
O2 Sr2 O3 51.97(19) 3_664 2_665 ?
O2 Sr2 O3 109.8(2) 11_664 2_665 ?
O2 Sr2 O3 70.2(2) 5_456 2_665 ?
O3 Sr2 O3 180.0 8_455 2_665 ?
O1 Sr2 O3 113.89(18) 7_565 . ?
O1 Sr2 O3 66.12(18) . . ?
O2 Sr2 O3 70.2(2) 9_456 . ?
O2 Sr2 O3 109.8(2) 3_664 . ?
O2 Sr2 O3 51.97(19) 11_664 . ?
O2 Sr2 O3 128.03(19) 5_456 . ?
O3 Sr2 O3 80.3(4) 8_455 . ?
O3 Sr2 O3 99.7(4) 2_665 . ?
O1 Sr2 O3 66.12(18) 7_565 7_565 ?
O1 Sr2 O3 113.88(18) . 7_565 ?
O2 Sr2 O3 109.8(2) 9_456 7_565 ?
O2 Sr2 O3 70.2(2) 3_664 7_565 ?
O2 Sr2 O3 128.0(2) 11_664 7_565 ?
O2 Sr2 O3 51.97(19) 5_456 7_565 ?
O3 Sr2 O3 99.7(4) 8_455 7_565 ?
O3 Sr2 O3 80.3(4) 2_665 7_565 ?
O3 Sr2 O3 180.0 . 7_565 ?
O1 Sr2 B2 89.9(2) 7_565 7_565 ?
O1 Sr2 B2 90.1(2) . 7_565 ?
O2 Sr2 B2 90.8(3) 9_456 7_565 ?
O2 Sr2 B2 89.2(3) 3_664 7_565 ?
O2 Sr2 B2 153.2(2) 11_664 7_565 ?
O2 Sr2 B2 26.8(2) 5_456 7_565 ?
O3 Sr2 B2 102.0(3) 8_455 7_565 ?
O3 Sr2 B2 78.0(3) 2_665 7_565 ?
O3 Sr2 B2 154.2(2) . 7_565 ?
O3 Sr2 B2 25.8(2) 7_565 7_565 ?
O1 Sr2 B2 89.9(2) 7_565 8_455 ?
O1 Sr2 B2 90.1(2) . 8_455 ?
O2 Sr2 B2 26.8(2) 9_456 8_455 ?
O2 Sr2 B2 153.2(2) 3_664 8_455 ?
O2 Sr2 B2 89.2(3) 11_664 8_455 ?
O2 Sr2 B2 90.8(3) 5_456 8_455 ?
O3 Sr2 B2 25.8(2) 8_455 8_455 ?
O3 Sr2 B2 154.2(2) 2_665 8_455 ?
O3 Sr2 B2 78.0(3) . 8_455 ?
O3 Sr2 B2 102.0(3) 7_565 8_455 ?
B2 Sr2 B2 92.9(5) 7_565 8_455 ?
B1 O1 Li1 147.0(10) . . ?
B1 O1 Tb1 90.59(18) . . ?
Li1 O1 Tb1 87.45(16) . . ?
B1 O1 Tb1 90.59(18) . 2_665 ?
Li1 O1 Tb1 87.45(16) . 2_665 ?
Tb1 O1 Tb1 172.3(3) . 2_665 ?
B1 O1 Sr2 126.1(9) . . ?
Li1 O1 Sr2 86.9(3) . . ?
Tb1 O1 Sr2 92.71(17) . . ?
Tb1 O1 Sr2 92.71(17) 2_665 . ?
B2 O2 Li1 145.6(7) 3_556 2_655 ?
B2 O2 Tb1 130.9(7) 3_556 8_546 ?
Li1 O2 Tb1 83.47(18) 2_655 8_546 ?
B2 O2 Tb1 92.8(5) 3_556 3 ?
Li1 O2 Tb1 81.68(17) 2_655 3 ?
Tb1 O2 Tb1 98.5(2) 8_546 3 ?
B2 O2 Sr2 92.4(5) 3_556 2_656 ?
Li1 O2 Sr2 82.3(2) 2_655 2_656 ?
Tb1 O2 Sr2 93.80(17) 8_546 2_656 ?
Tb1 O2 Sr2 158.5(3) 3 2_656 ?
B2 O3 Tb1 164.3(9) . . ?
B2 O3 Sr2 90.8(3) . . ?
Tb1 O3 Sr2 94.50(16) . . ?
B2 O3 Sr2 90.8(3) . 3_565 ?
Tb1 O3 Sr2 94.50(16) . 3_565 ?
Sr2 O3 Sr2 140.2(4) . 3_565 ?
B3 O4 O4 60.000(1) . 9_556 ?
B3 O4 O4 60.000(1) . 8_556 ?
O4 O4 O4 120.001(4) 9_556 8_556 ?
B3 O4 Tb1 128.7(5) . 9_656 ?
O4 O4 Tb1 153.91(8) 9_556 9_656 ?
O4 O4 Tb1 74.2(4) 8_556 9_656 ?
B3 O4 Tb1 128.7(5) . 2_665 ?
O4 O4 Tb1 74.2(4) 9_556 2_665 ?
O4 O4 Tb1 153.91(8) 8_556 2_665 ?
Tb1 O4 Tb1 102.5(9) 9_656 2_665 ?
O1 B1 O1 119.98(4) 3_565 2_665 ?
O1 B1 O1 119.98(4) 3_565 . ?
O1 B1 O1 119.98(4) 2_665 . ?
O1 B1 Tb1 60.02(5) 3_565 . ?
O1 B1 Tb1 175.6(13) 2_665 . ?
O1 B1 Tb1 60.02 . . ?
O1 B1 Tb1 60.02 3_565 3_565 ?
O1 B1 Tb1 60.02 2_665 3_565 ?
O1 B1 Tb1 175.6(13) . 3_565 ?
Tb1 B1 Tb1 119.60(9) . 3_565 ?
O1 B1 Tb1 175.6(13) 3_565 2_665 ?
O1 B1 Tb1 60.02(5) 2_665 2_665 ?
O1 B1 Tb1 60.02(5) . 2_665 ?
Tb1 B1 Tb1 119.60(9) . 2_665 ?
Tb1 B1 Tb1 119.60(9) 3_565 2_665 ?
O3 B2 O2 121.6(4) . 11_664 ?
O3 B2 O2 121.6(4) . 2_554 ?
O2 B2 O2 116.7(9) 11_664 2_554 ?
O3 B2 Tb1 178.2(10) . 1_554 ?
O2 B2 Tb1 58.4(4) 11_664 1_554 ?
O2 B2 Tb1 58.4(4) 2_554 1_554 ?
O3 B2 Sr2 63.4(3) . 3_565 ?
O2 B2 Sr2 160.6(9) 11_664 3_565 ?
O2 B2 Sr2 60.8(3) 2_554 3_565 ?
Tb1 B2 Sr2 116.0(3) 1_554 3_565 ?
O3 B2 Sr2 63.4(3) . . ?
O2 B2 Sr2 60.8(3) 11_664 . ?
O2 B2 Sr2 160.6(9) 2_554 . ?
Tb1 B2 Sr2 116.0(3) 1_554 . ?
Sr2 B2 Sr2 114.4(4) 3_565 . ?
O4 B3 O4 180(4) . 7_556 ?
O4 B3 O4 60.000(3) . 9_556 ?
O4 B3 O4 120.000(3) 7_556 9_556 ?
O4 B3 O4 120.000(2) . 2 ?
O4 B3 O4 60.000(2) 7_556 2 ?
O4 B3 O4 60.000(2) 9_556 2 ?
O4 B3 O4 60.000(2) . 8_556 ?
O4 B3 O4 120.000(2) 7_556 8_556 ?
O4 B3 O4 120.000(6) 9_556 8_556 ?
O4 B3 O4 180.0 2 8_556 ?
O4 B3 O4 120.000(3) . 3 ?
O4 B3 O4 60.000(3) 7_556 3 ?
O4 B3 O4 180.0 9_556 3 ?
O4 B3 O4 120.000(6) 2 3 ?
O4 B3 O4 60.000(2) 8_556 3 ?
O1 Li1 O1 180.0 . 7_566 ?
O1 Li1 O2 93.73(19) . 11_665 ?
O1 Li1 O2 86.27(19) 7_566 11_665 ?
O1 Li1 O2 86.27(19) . 5_456 ?
O1 Li1 O2 93.73(19) 7_566 5_456 ?
O2 Li1 O2 180.0 11_665 5_456 ?
O1 Li1 O2 86.27(19) . 9_456 ?
O1 Li1 O2 93.73(19) 7_566 9_456 ?
O2 Li1 O2 79.3(3) 11_665 9_456 ?
O2 Li1 O2 100.7(3) 5_456 9_456 ?
O1 Li1 O2 93.73(19) . 3_665 ?
O1 Li1 O2 86.27(19) 7_566 3_665 ?
O2 Li1 O2 100.7(3) 11_665 3_665 ?
O2 Li1 O2 79.3(3) 5_456 3_665 ?
O2 Li1 O2 180.0(2) 9_456 3_665 ?
O1 Li1 Tb1 126.971(14) . 7_566 ?
O1 Li1 Tb1 53.03(15) 7_566 7_566 ?
O2 Li1 Tb1 126.92(14) 11_665 7_566 ?
O2 Li1 Tb1 53.08(14) 5_456 7_566 ?
O2 Li1 Tb1 128.93(17) 9_456 7_566 ?
O2 Li1 Tb1 51.07(17) 3_665 7_566 ?
O1 Li1 Tb1 53.03(15) . . ?
O1 Li1 Tb1 126.970(14) 7_566 . ?
O2 Li1 Tb1 53.08(14) 11_665 . ?
O2 Li1 Tb1 126.92(14) 5_456 . ?
O2 Li1 Tb1 51.07(17) 9_456 . ?
O2 Li1 Tb1 128.93(17) 3_665 . ?
Tb1 Li1 Tb1 180.0 7_566 . ?
O1 Li1 Tb1 53.03(15) . 2_665 ?
O1 Li1 Tb1 126.970(15) 7_566 2_665 ?
O2 Li1 Tb1 128.93(17) 11_665 2_665 ?
O2 Li1 Tb1 51.07(17) 5_456 2_665 ?
O2 Li1 Tb1 126.92(14) 9_456 2_665 ?
O2 Li1 Tb1 53.08(14) 3_665 2_665 ?
Tb1 Li1 Tb1 74.13(2) 7_566 2_665 ?
Tb1 Li1 Tb1 105.87(2) . 2_665 ?
O1 Li1 Tb1 126.970(14) . 8_456 ?
O1 Li1 Tb1 53.03(15) 7_566 8_456 ?
O2 Li1 Tb1 51.07(17) 11_665 8_456 ?
O2 Li1 Tb1 128.93(17) 5_456 8_456 ?
O2 Li1 Tb1 53.08(14) 9_456 8_456 ?
O2 Li1 Tb1 126.92(14) 3_665 8_456 ?
Tb1 Li1 Tb1 105.87(2) 7_566 8_456 ?
Tb1 Li1 Tb1 74.13(2) . 8_456 ?
Tb1 Li1 Tb1 180.0 2_665 8_456 ?
O1 Li1 Sr2 56.2(2) . . ?
O1 Li1 Sr2 123.8(2) 7_566 . ?
O2 Li1 Sr2 124.32(14) 11_665 . ?
O2 Li1 Sr2 55.68(14) 5_456 . ?
O2 Li1 Sr2 55.68(14) 9_456 . ?
O2 Li1 Sr2 124.32(14) 3_665 . ?
Tb1 Li1 Sr2 107.520(9) 7_566 . ?
Tb1 Li1 Sr2 72.481(9) . . ?
Tb1 Li1 Sr2 72.481(9) 2_665 . ?
Tb1 Li1 Sr2 107.519(9) 8_456 . ?
O1 Li1 Sr2 123.8(2) . 1_556 ?
O1 Li1 Sr2 56.2(2) 7_566 1_556 ?
O2 Li1 Sr2 55.68(14) 11_665 1_556 ?
O2 Li1 Sr2 124.32(14) 5_456 1_556 ?
O2 Li1 Sr2 124.32(14) 9_456 1_556 ?
O2 Li1 Sr2 55.68(14) 3_665 1_556 ?
Tb1 Li1 Sr2 72.480(9) 7_566 1_556 ?
Tb1 Li1 Sr2 107.519(9) . 1_556 ?
Tb1 Li1 Sr2 107.519(9) 2_665 1_556 ?
Tb1 Li1 Sr2 72.481(9) 8_456 1_556 ?
Sr2 Li1 Sr2 180.0 . 1_556 ?

_refine_diff_density_max         2.302
_refine_diff_density_min         -1.884
_refine_diff_density_rms         0.308

_shelxl_version_number           2013-4

