# 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 2017

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 1516142'
_audit_update_record             
;
2016-11-10 deposited with the CCDC.
2017-03-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '3(B O3), 4(F), 3(Sr), 3(Be), Li'
_chemical_formula_sum            'B3 Be3 F4 Li O9 Sr3'
_chemical_formula_weight         549.26

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'
Be Be 0.0005 0.0002 '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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 m'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                   10.3062(15)
_cell_length_b                   10.3062(15)
_cell_length_c                   8.3458(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     767.7(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    153.1500
_cell_measurement_reflns_used    1758
_cell_measurement_theta_min      3.3398
_cell_measurement_theta_max      27.4855

_exptl_crystal_description       block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             756.0
_exptl_absorpt_coefficient_mu    15.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5769
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'face indexed'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153.1500
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Molybdenum
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2135
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_av_sigmaI/netI    0.0395
_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       10
_diffrn_reflns_theta_min         3.34
_diffrn_reflns_theta_max         27.47
_reflns_number_total             237
_reflns_number_gt                232
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0481P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   constr
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0089(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         237
_refine_ls_number_parameters     38
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0278
_refine_ls_wR_factor_ref         0.0651
_refine_ls_wR_factor_gt          0.0649
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.068
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.06773(8) 0.53387(4) 1.0020(2) 0.0067(3) Uani 1 2 d S . .
O1 O 0.2283(4) 0.7717(4) 0.8089(9) 0.0092(13) Uiso 1 2 d SU . .
F2 F -0.1383(8) 0.4308(4) 0.8146(9) 0.0179(13) Uani 1 2 d S . .
F1 F 0.3333 0.6667 0.6098(15) 0.020(2) Uani 1 6 d S . .
O2 O 0.2359(5) 0.9975(5) 0.8805(5) 0.0091(11) Uani 1 1 d . . .
B1 B 0.1529(6) 0.8471(6) 0.8555(13) 0.005(2) Uiso 1 2 d SU . .
Be1 Be 0.2472(7) 0.7528(7) 0.6298(15) 0.003(2) Uiso 1 2 d SU . .
Li1 Li -0.3333 0.3333 0.976(6) 0.038(10) Uani 1 6 d S . .


_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
Sr1 F2 2.414(7) . ?
Sr1 F2 2.451(4) 9_455 ?
Sr1 F2 2.451(4) 8_565 ?
Sr1 O2 2.615(4) 7_445 ?
Sr1 O2 2.615(4) 12_465 ?
Sr1 O1 2.700(5) 2_665 ?
Sr1 O1 2.700(5) . ?
Sr1 O2 2.951(5) 2_665 ?
Sr1 O2 2.951(5) 4_665 ?
Sr1 B1 3.139(8) 2_665 ?
Sr1 B1 3.139(8) . ?
Sr1 Be1 3.195(12) 15_455 ?
O1 B1 1.401(12) . ?
O1 Be1 1.533(14) . ?
O1 Sr1 2.700(5) 3_565 ?
F2 Li1 2.20(3) . ?
F2 Sr1 2.451(4) 15_454 ?
F2 Sr1 2.451(4) 14_554 ?
F1 Be1 1.546(12) . ?
F1 Be1 1.546(12) 2_665 ?
F1 Be1 1.546(12) 3_565 ?
F1 Li1 2.51(5) 7_554 ?
O2 B1 1.361(6) . ?
O2 Be1 1.529(8) 9_465 ?
O2 Sr1 2.615(4) 13_554 ?
O2 Sr1 2.951(5) 3_565 ?
B1 O2 1.361(6) 4_665 ?
B1 Sr1 3.139(8) 3_565 ?
Be1 O2 1.529(8) 17_444 ?
Be1 O2 1.529(8) 14_664 ?
Be1 Be1 2.66(2) 2_665 ?
Be1 Be1 2.66(2) 3_565 ?
Be1 Li1 3.09(5) 7_554 ?
Be1 Sr1 3.196(12) 8_564 ?
Be1 Sr1 3.740(10) 3_565 ?
Li1 F2 2.20(3) 3_455 ?
Li1 F2 2.20(3) 2_565 ?
Li1 F1 2.51(5) 13_445 ?
Li1 Be1 3.09(5) 13_445 ?
Li1 Be1 3.09(5) 15_455 ?
Li1 Be1 3.09(5) 14 ?
Li1 Sr1 3.49(4) 13_444 ?
Li1 Sr1 3.49(4) 15_454 ?
Li1 Sr1 3.49(4) 14_554 ?
Li1 Sr1 3.586(3) 3_455 ?

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
F2 Sr1 F2 142.02(18) . 9_455 ?
F2 Sr1 F2 142.02(18) . 8_565 ?
F2 Sr1 F2 75.9(3) 9_455 8_565 ?
F2 Sr1 O2 90.49(19) . 7_445 ?
F2 Sr1 O2 73.58(17) 9_455 7_445 ?
F2 Sr1 O2 107.52(19) 8_565 7_445 ?
F2 Sr1 O2 90.49(19) . 12_465 ?
F2 Sr1 O2 107.52(19) 9_455 12_465 ?
F2 Sr1 O2 73.57(17) 8_565 12_465 ?
O2 Sr1 O2 56.7(2) 7_445 12_465 ?
F2 Sr1 O1 91.00(18) . 2_665 ?
F2 Sr1 O1 66.5(2) 9_455 2_665 ?
F2 Sr1 O1 109.99(18) 8_565 2_665 ?
O2 Sr1 O1 114.67(18) 7_445 2_665 ?
O2 Sr1 O1 171.2(2) 12_465 2_665 ?
F2 Sr1 O1 91.00(18) . . ?
F2 Sr1 O1 109.99(18) 9_455 . ?
F2 Sr1 O1 66.5(2) 8_565 . ?
O2 Sr1 O1 171.2(2) 7_445 . ?
O2 Sr1 O1 114.67(18) 12_465 . ?
O1 Sr1 O1 74.0(3) 2_665 . ?
F2 Sr1 O2 68.09(9) . 2_665 ?
F2 Sr1 O2 74.2(2) 9_455 2_665 ?
F2 Sr1 O2 148.91(17) 8_565 2_665 ?
O2 Sr1 O2 71.66(4) 7_445 2_665 ?
O2 Sr1 O2 123.83(18) 12_465 2_665 ?
O1 Sr1 O2 49.26(17) 2_665 2_665 ?
O1 Sr1 O2 116.86(19) . 2_665 ?
F2 Sr1 O2 68.09(9) . 4_665 ?
F2 Sr1 O2 148.91(18) 9_455 4_665 ?
F2 Sr1 O2 74.2(2) 8_565 4_665 ?
O2 Sr1 O2 123.83(18) 7_445 4_665 ?
O2 Sr1 O2 71.66(4) 12_465 4_665 ?
O1 Sr1 O2 116.9(2) 2_665 4_665 ?
O1 Sr1 O2 49.26(17) . 4_665 ?
O2 Sr1 O2 133.29(17) 2_665 4_665 ?
F2 Sr1 B1 86.10(15) . 2_665 ?
F2 Sr1 B1 59.9(2) 9_455 2_665 ?
F2 Sr1 B1 126.30(19) 8_565 2_665 ?
O2 Sr1 B1 88.7(2) 7_445 2_665 ?
O2 Sr1 B1 145.2(2) 12_465 2_665 ?
O1 Sr1 B1 26.4(2) 2_665 2_665 ?
O1 Sr1 B1 100.0(3) . 2_665 ?
O2 Sr1 B1 25.59(15) 2_665 2_665 ?
O2 Sr1 B1 136.9(2) 4_665 2_665 ?
F2 Sr1 B1 86.10(15) . . ?
F2 Sr1 B1 126.3(2) 9_455 . ?
F2 Sr1 B1 59.9(2) 8_565 . ?
O2 Sr1 B1 145.2(2) 7_445 . ?
O2 Sr1 B1 88.7(2) 12_465 . ?
O1 Sr1 B1 100.0(3) 2_665 . ?
O1 Sr1 B1 26.4(2) . . ?
O2 Sr1 B1 136.9(2) 2_665 . ?
O2 Sr1 B1 25.59(15) 4_665 . ?
B1 Sr1 B1 125.4(4) 2_665 . ?
F2 Sr1 Be1 90.6(3) . 15_455 ?
F2 Sr1 Be1 90.5(2) 9_455 15_455 ?
F2 Sr1 Be1 90.5(2) 8_565 15_455 ?
O2 Sr1 Be1 28.33(11) 7_445 15_455 ?
O2 Sr1 Be1 28.33(11) 12_465 15_455 ?
O1 Sr1 Be1 142.98(17) 2_665 15_455 ?
O1 Sr1 Be1 142.98(17) . 15_455 ?
O2 Sr1 Be1 97.93(13) 2_665 15_455 ?
O2 Sr1 Be1 97.94(13) 4_665 15_455 ?
B1 Sr1 Be1 117.02(19) 2_665 15_455 ?
B1 Sr1 Be1 117.02(19) . 15_455 ?
B1 O1 Be1 118.9(8) . . ?
B1 O1 Sr1 94.6(4) . 3_565 ?
Be1 O1 Sr1 121.7(3) . 3_565 ?
B1 O1 Sr1 94.6(4) . . ?
Be1 O1 Sr1 121.7(3) . . ?
Sr1 O1 Sr1 99.0(2) 3_565 . ?
Li1 F2 Sr1 101.9(11) . . ?
Li1 F2 Sr1 97.2(6) . 15_454 ?
Sr1 F2 Sr1 119.64(15) . 15_454 ?
Li1 F2 Sr1 97.2(6) . 14_554 ?
Sr1 F2 Sr1 119.64(15) . 14_554 ?
Sr1 F2 Sr1 113.8(3) 15_454 14_554 ?
Be1 F1 Be1 118.9(3) . 2_665 ?
Be1 F1 Be1 118.9(3) . 3_565 ?
Be1 F1 Be1 118.9(3) 2_665 3_565 ?
Be1 F1 Li1 96.2(7) . 7_554 ?
Be1 F1 Li1 96.2(7) 2_665 7_554 ?
Be1 F1 Li1 96.2(7) 3_565 7_554 ?
B1 O2 Be1 122.4(7) . 9_465 ?
B1 O2 Sr1 126.5(5) . 13_554 ?
Be1 O2 Sr1 97.4(4) 9_465 13_554 ?
B1 O2 Sr1 85.0(5) . 3_565 ?
Be1 O2 Sr1 128.0(5) 9_465 3_565 ?
Sr1 O2 Sr1 97.98(15) 13_554 3_565 ?
O2 B1 O2 124.2(9) . 4_665 ?
O2 B1 O1 117.8(4) . . ?
O2 B1 O1 117.8(4) 4_665 . ?
O2 B1 Sr1 69.4(4) . 3_565 ?
O2 B1 Sr1 143.6(6) 4_665 3_565 ?
O1 B1 Sr1 59.0(3) . 3_565 ?
O2 B1 Sr1 143.6(6) . . ?
O2 B1 Sr1 69.4(4) 4_665 . ?
O1 B1 Sr1 59.0(3) . . ?
Sr1 B1 Sr1 81.7(2) 3_565 . ?
O2 Be1 O2 108.5(8) 17_444 14_664 ?
O2 Be1 O1 110.9(6) 17_444 . ?
O2 Be1 O1 110.9(6) 14_664 . ?
O2 Be1 F1 108.7(6) 17_444 . ?
O2 Be1 F1 108.7(6) 14_664 . ?
O1 Be1 F1 108.9(9) . . ?
O2 Be1 Be1 85.2(4) 17_444 2_665 ?
O2 Be1 Be1 136.7(5) 14_664 2_665 ?
O1 Be1 Be1 101.0(4) . 2_665 ?
F1 Be1 Be1 30.57(13) . 2_665 ?
O2 Be1 Be1 136.7(5) 17_444 3_565 ?
O2 Be1 Be1 85.2(4) 14_664 3_565 ?
O1 Be1 Be1 101.0(4) . 3_565 ?
F1 Be1 Be1 30.57(13) . 3_565 ?
Be1 Be1 Be1 60.000(3) 2_665 3_565 ?
O2 Be1 Li1 78.1(6) 17_444 7_554 ?
O2 Be1 Li1 78.1(6) 14_664 7_554 ?
O1 Be1 Li1 162.9(9) . 7_554 ?
F1 Be1 Li1 53.9(8) . 7_554 ?
Be1 Be1 Li1 64.4(4) 2_665 7_554 ?
Be1 Be1 Li1 64.4(4) 3_565 7_554 ?
O2 Be1 Sr1 54.2(4) 17_444 8_564 ?
O2 Be1 Sr1 54.2(4) 14_664 8_564 ?
O1 Be1 Sr1 127.5(6) . 8_564 ?
F1 Be1 Sr1 123.6(8) . 8_564 ?
Be1 Be1 Sr1 123.62(18) 2_665 8_564 ?
Be1 Be1 Sr1 123.62(18) 3_565 8_564 ?
Li1 Be1 Sr1 69.6(6) 7_554 8_564 ?
O2 Be1 Sr1 148.7(6) 17_444 3_565 ?
O2 Be1 Sr1 87.9(4) 14_664 3_565 ?
O1 Be1 Sr1 37.9(2) . 3_565 ?
F1 Be1 Sr1 89.8(6) . 3_565 ?
Be1 Be1 Sr1 101.13(16) 2_665 3_565 ?
Be1 Be1 Sr1 69.16(17) 3_565 3_565 ?
Li1 Be1 Sr1 132.3(4) 7_554 3_565 ?
Sr1 Be1 Sr1 134.3(3) 8_564 3_565 ?
O2 Be1 Sr1 87.9(4) 17_444 . ?
O2 Be1 Sr1 148.7(6) 14_664 . ?
O1 Be1 Sr1 37.9(2) . . ?
F1 Be1 Sr1 89.8(6) . . ?
Be1 Be1 Sr1 69.16(17) 2_665 . ?
Be1 Be1 Sr1 101.13(16) 3_565 . ?
Li1 Be1 Sr1 132.3(4) 7_554 . ?
Sr1 Be1 Sr1 134.3(3) 8_564 . ?
Sr1 Be1 Sr1 66.6(2) 3_565 . ?
F2 Li1 F2 86.5(16) 3_455 . ?
F2 Li1 F2 86.5(16) 3_455 2_565 ?
F2 Li1 F2 86.5(16) . 2_565 ?
F2 Li1 F1 127.7(11) 3_455 13_445 ?
F2 Li1 F1 127.7(11) . 13_445 ?
F2 Li1 F1 127.7(11) 2_565 13_445 ?
F2 Li1 Be1 136.7(9) 3_455 13_445 ?
F2 Li1 Be1 136.7(9) . 13_445 ?
F2 Li1 Be1 97.8(7) 2_565 13_445 ?
F1 Li1 Be1 29.9(5) 13_445 13_445 ?
F2 Li1 Be1 136.7(9) 3_455 15_455 ?
F2 Li1 Be1 97.8(7) . 15_455 ?
F2 Li1 Be1 136.7(9) 2_565 15_455 ?
F1 Li1 Be1 29.9(5) 13_445 15_455 ?
Be1 Li1 Be1 51.1(9) 13_445 15_455 ?
F2 Li1 Be1 97.8(7) 3_455 14 ?
F2 Li1 Be1 136.7(9) . 14 ?
F2 Li1 Be1 136.7(9) 2_565 14 ?
F1 Li1 Be1 29.9(5) 13_445 14 ?
Be1 Li1 Be1 51.1(9) 13_445 14 ?
Be1 Li1 Be1 51.1(9) 15_455 14 ?
F2 Li1 Sr1 44.1(7) 3_455 13_444 ?
F2 Li1 Sr1 95.0(17) . 13_444 ?
F2 Li1 Sr1 44.1(7) 2_565 13_444 ?
F1 Li1 Sr1 137.2(6) 13_445 13_444 ?
Be1 Li1 Sr1 117.9(2) 13_445 13_444 ?
Be1 Li1 Sr1 167.1(11) 15_455 13_444 ?
Be1 Li1 Sr1 117.9(2) 14 13_444 ?
F2 Li1 Sr1 95.0(17) 3_455 15_454 ?
F2 Li1 Sr1 44.1(7) . 15_454 ?
F2 Li1 Sr1 44.1(7) 2_565 15_454 ?
F1 Li1 Sr1 137.2(6) 13_445 15_454 ?
Be1 Li1 Sr1 117.9(2) 13_445 15_454 ?
Be1 Li1 Sr1 117.9(2) 15_455 15_454 ?
Be1 Li1 Sr1 167.1(11) 14 15_454 ?
Sr1 Li1 Sr1 72.0(9) 13_444 15_454 ?
F2 Li1 Sr1 44.1(7) 3_455 14_554 ?
F2 Li1 Sr1 44.1(7) . 14_554 ?
F2 Li1 Sr1 95.0(17) 2_565 14_554 ?
F1 Li1 Sr1 137.2(6) 13_445 14_554 ?
Be1 Li1 Sr1 167.1(11) 13_445 14_554 ?
Be1 Li1 Sr1 117.9(2) 15_455 14_554 ?
Be1 Li1 Sr1 117.9(2) 14 14_554 ?
Sr1 Li1 Sr1 72.0(9) 13_444 14_554 ?
Sr1 Li1 Sr1 72.0(9) 15_454 14_554 ?
F2 Li1 Sr1 115.6(8) 3_455 . ?
F2 Li1 Sr1 41.2(3) . . ?
F2 Li1 Sr1 115.6(8) 2_565 . ?
F1 Li1 Sr1 86.5(8) 13_445 . ?
Be1 Li1 Sr1 101.3(10) 13_445 . ?
Be1 Li1 Sr1 56.6(4) 15_455 . ?
Be1 Li1 Sr1 101.3(10) 14 . ?
Sr1 Li1 Sr1 136.2(14) 13_444 . ?
Sr1 Li1 Sr1 72.9(4) 15_454 . ?
Sr1 Li1 Sr1 72.9(4) 14_554 . ?
F2 Li1 Sr1 41.2(3) 3_455 3_455 ?
F2 Li1 Sr1 115.6(8) . 3_455 ?
F2 Li1 Sr1 115.6(8) 2_565 3_455 ?
F1 Li1 Sr1 86.5(8) 13_445 3_455 ?
Be1 Li1 Sr1 101.3(10) 13_445 3_455 ?
Be1 Li1 Sr1 101.3(10) 15_455 3_455 ?
Be1 Li1 Sr1 56.6(4) 14 3_455 ?
Sr1 Li1 Sr1 72.9(4) 13_444 3_455 ?
Sr1 Li1 Sr1 136.2(14) 15_454 3_455 ?
Sr1 Li1 Sr1 72.9(4) 14_554 3_455 ?
Sr1 Li1 Sr1 119.63(17) . 3_455 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.275
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.189
_exptl_crystal_preparation       ', Nonlinear optical'
