# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
trilithium monoboron diphosphorus octaoxygen 
;
_chemical_name_common            
; 
lithium boron phosphorous oxide
;

_chemical_melting_point          ?
_chemical_formula_moiety         'B O8 P2, 3(Li)'
_chemical_formula_sum            'B Li3 O8 P2'
_chemical_formula_weight         221.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.1888(5)
_cell_length_b                   7.4118(7)
_cell_length_c                   7.6735(7)
_cell_angle_alpha                101.179(3)
_cell_angle_beta                 105.067(3)
_cell_angle_gamma                90.335(3)
_cell_volume                     279.06(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2221
_cell_measurement_theta_min      3.545
_cell_measurement_theta_max      27.49

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.168
_exptl_crystal_size_min          0.072
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             216
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.917372
_exptl_absorpt_correction_T_max  0.966714
_exptl_absorpt_process_details   
; 
(NUMABS; Higashi, 1999)
;

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-0.99 3.94 -6.40 0.0520
0.98 7.27 -1.88 0.0300
1.53 6.61 0.54 0.0489
-1.01 -7.26 1.79 0.0229
-1.86 -5.09 -2.82 0.0513
-4.78 2.37 3.01 0.0533
-4.39 -0.88 5.64 0.0519
-1.22 -5.28 6.32 0.0587
2.09 -6.06 3.42 0.0446
4.68 -0.27 -4.88 0.0394
-1.48 6.14 -4.18 0.0435
-0.37 6.60 2.09 0.0471
0.18 -4.50 6.60 0.0704
0.38 -7.39 1.51 0.0285
0.36 -6.46 -2.35 0.0481
-0.19 4.66 -6.50 0.0522
-0.38 7.35 -0.58 0.0271


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.0
_diffrn_reflns_number            2737
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.55
_diffrn_reflns_theta_max         27.48
_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.978

_reflns_number_total             1265
_reflns_number_gt                1067
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PROCESS-AUTO (Rigaku/MSC, 2005)'
_computing_cell_refinement       'PROCESS-AUTO (Rigaku/MSC, 2005)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku/MSC, 2005)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'VESTA (Momma & Izumi, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

#========================================================================
# Refinement Data
#========================================================================

_iucr_refine_instruction_details 
;
TITL Li2BPO5  121002data    New: P-1
CELL  0.71075    5.1888    7.4118    7.6735   101.179   105.067    90.335
ZERR        2    0.0005    0.0007    0.0007     0.003     0.003     0.003
LATT   1
SFAC  B Li  O  P
UNIT     2    6  16   4
L.S. 8
 
omit -4  -2   9
omit -1  -9   5
omit -2  -6   8
omit  0  -9   1
omit  0  -9   5
 
ACTA
 
WGHT      0.0304      0.5296 
FVAR       1.19967
LI1   2    0.775721    0.133322    0.307848    11.00000    0.03659    0.02510 =
         0.03965    0.00555    0.02490    0.00289
LI2   2    0.669812    0.479629    0.145467    11.00000    0.01519    0.02479 =
         0.01530    0.00233    0.00067    0.00405
LI3   2    0.138701    0.532684    0.387838    11.00000    0.01974    0.03690 =
         0.06612   -0.02156    0.00388   -0.00134
B1    1    0.258384    0.961534    0.231600    11.00000    0.00932    0.01245 =
         0.00945    0.00075    0.00153   -0.00006
P1    4    0.371203    0.214920    0.550016    11.00000    0.00994    0.01016 =
         0.01041    0.00125    0.00299    0.00188
P2    4    0.116885    0.250944    0.055048    11.00000    0.01066    0.00963 =
         0.01023    0.00184    0.00281    0.00100
O1    3    0.052846    0.813061    0.148161    11.00000    0.01459    0.01470 =
         0.01060    0.00130    0.00223   -0.00366
O2    3    0.473606    0.112470    0.715134    11.00000    0.01190    0.01418 =
         0.01317    0.00342    0.00461    0.00433
O3    3    0.939763    0.304711    0.183567    11.00000    0.01677    0.01654 =
         0.01420    0.00331    0.00714    0.00591
O4    3    0.202331    0.368027    0.605528    11.00000    0.01348    0.01189 =
         0.01476    0.00103    0.00410    0.00351
O5    3    0.281750    0.082584    0.106094    11.00000    0.01466    0.01262 =
         0.01472    0.00598    0.00728    0.00453
O6    3    0.304502    0.406602    0.059074    11.00000    0.01562    0.01381 =
         0.01971    0.00579    0.00039   -0.00296
O7    3    0.183117    0.064045    0.395664    11.00000    0.01122    0.01189 =
         0.01097    0.00044    0.00445    0.00037
O8    3    0.599948    0.275107    0.484724    11.00000    0.01296    0.01495 =
         0.01495    0.00037    0.00459   -0.00041
HKLF 4
END  
;


_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0304P)^2^+0.5296P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_extinction_method     none
_refine_ls_number_reflns         1265
_refine_ls_number_parameters     127
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0809
_refine_ls_wR_factor_gt          0.0748
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

_refine_diff_density_max         0.560
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.101



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
Li1 Li 0.7757(12) 0.1333(8) 0.3078(8) 0.0311(12) Uani 1 1 d . . .
Li2 Li 0.6698(9) 0.4796(7) 0.1455(6) 0.0193(10) Uani 1 1 d . . .
Li3 Li 0.1387(11) 0.5327(9) 0.3879(10) 0.0468(18) Uani 1 1 d . . .
B1 B 0.2584(5) 0.9615(4) 0.2316(4) 0.0108(6) Uani 1 1 d . . .
P1 P 0.37120(12) 0.21492(9) 0.55001(9) 0.01021(18) Uani 1 1 d . . .
P2 P 0.11689(12) 0.25094(9) 0.05505(9) 0.01017(18) Uani 1 1 d . . .
O1 O 0.0529(3) 0.8131(3) 0.1482(2) 0.0137(4) Uani 1 1 d . . .
O2 O 0.4736(3) 0.1125(2) 0.7151(2) 0.0127(4) Uani 1 1 d . . .
O3 O 0.9397(4) 0.3047(3) 0.1836(2) 0.0152(4) Uani 1 1 d . . .
O4 O 0.2023(3) 0.3680(2) 0.6055(2) 0.0135(4) Uani 1 1 d . . .
O5 O 0.2817(3) 0.0826(2) 0.1061(2) 0.0129(4) Uani 1 1 d . . .
O6 O 0.3045(4) 0.4066(3) 0.0591(3) 0.0169(4) Uani 1 1 d . . .
O7 O 0.1831(3) 0.0641(2) 0.3957(2) 0.0113(4) Uani 1 1 d . . .
O8 O 0.6000(3) 0.2751(3) 0.4847(2) 0.0145(4) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Li1 0.037(3) 0.025(3) 0.039(3) 0.006(2) 0.025(3) 0.003(2)
Li2 0.015(2) 0.025(3) 0.015(2) 0.0024(19) 0.0006(18) 0.0041(18)
Li3 0.020(3) 0.037(4) 0.066(5) -0.022(3) 0.004(3) -0.001(2)
B1 0.0093(13) 0.0124(14) 0.0094(13) 0.0008(11) 0.0015(11) -0.0001(10)
P1 0.0099(3) 0.0101(3) 0.0104(3) 0.0012(2) 0.0030(2) 0.0019(2)
P2 0.0106(3) 0.0096(3) 0.0102(3) 0.0018(2) 0.0028(2) 0.0010(2)
O1 0.0146(9) 0.0147(10) 0.0106(9) 0.0013(7) 0.0022(7) -0.0037(7)
O2 0.0119(8) 0.0142(9) 0.0132(9) 0.0034(7) 0.0046(7) 0.0043(7)
O3 0.0167(9) 0.0166(10) 0.0142(9) 0.0033(8) 0.0071(8) 0.0059(7)
O4 0.0135(9) 0.0119(9) 0.0148(9) 0.0010(7) 0.0041(7) 0.0035(7)
O5 0.0146(9) 0.0126(9) 0.0147(9) 0.0060(7) 0.0073(7) 0.0045(7)
O6 0.0156(9) 0.0138(10) 0.0197(10) 0.0058(8) 0.0004(8) -0.0030(7)
O7 0.0112(8) 0.0119(9) 0.0109(9) 0.0004(7) 0.0044(7) 0.0003(7)
O8 0.0129(9) 0.0150(10) 0.0149(9) 0.0004(7) 0.0046(7) -0.0004(7)

_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
Li1 O8 1.970(6) . ?
Li1 O3 2.031(6) . ?
Li1 O7 2.143(6) 1_655 ?
Li1 O2 2.180(6) 2_656 ?
Li1 O5 2.609(6) . ?
Li1 B1 2.833(6) 1_545 ?
Li1 Li3 2.997(8) 2_666 ?
Li1 Li2 3.057(7) . ?
Li1 Li3 3.364(9) 1_655 ?
Li2 O6 1.876(5) . ?
Li2 O3 1.919(5) . ?
Li2 O6 1.953(5) 2_665 ?
Li2 O4 1.965(5) 2_666 ?
Li2 Li2 2.530(9) 2_665 ?
Li2 Li3 2.624(7) 1_655 ?
Li2 P1 2.974(5) 2_666 ?
Li2 P2 3.027(5) 1_655 ?
Li2 P2 3.103(5) 2_665 ?
Li2 Li3 3.478(9) 2_666 ?
Li3 O8 1.890(6) 2_666 ?
Li3 O4 1.930(6) 2_566 ?
Li3 O3 2.119(6) 1_455 ?
Li3 O4 2.213(9) . ?
Li3 Li3 2.621(16) 2_566 ?
Li3 Li2 2.624(7) 1_455 ?
Li3 P2 2.945(6) . ?
Li3 P1 2.990(8) . ?
Li3 Li1 2.997(8) 2_666 ?
Li3 P1 3.027(6) 2_666 ?
Li3 Li1 3.364(9) 1_455 ?
Li3 Li2 3.478(9) 2_666 ?
B1 O1 1.455(3) . ?
B1 O5 1.463(3) 1_565 ?
B1 O2 1.484(3) 2_666 ?
B1 O7 1.484(3) 1_565 ?
B1 Li1 2.833(6) 1_565 ?
P1 O8 1.4995(19) . ?
P1 O4 1.5018(18) . ?
P1 O7 1.5742(18) . ?
P1 O2 1.5786(18) . ?
P1 Li2 2.974(5) 2_666 ?
P1 Li3 3.027(6) 2_666 ?
P2 O6 1.4957(19) . ?
P2 O3 1.5164(19) 1_455 ?
P2 O1 1.5578(18) 2_565 ?
P2 O5 1.5717(18) . ?
P2 Li2 3.027(5) 1_455 ?
P2 Li2 3.103(5) 2_665 ?
O1 P2 1.5578(18) 2_565 ?
O2 B1 1.484(3) 2_666 ?
O2 Li1 2.180(6) 2_656 ?
O3 P2 1.5163(18) 1_655 ?
O3 Li3 2.119(6) 1_655 ?
O4 Li3 1.930(6) 2_566 ?
O4 Li2 1.965(5) 2_666 ?
O5 B1 1.463(3) 1_545 ?
O6 Li2 1.953(5) 2_665 ?
O7 B1 1.484(3) 1_545 ?
O7 Li1 2.143(6) 1_455 ?
O8 Li3 1.890(6) 2_666 ?

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
O8 Li1 O3 110.5(3) . . ?
O8 Li1 O7 120.7(3) . 1_655 ?
O3 Li1 O7 82.0(2) . 1_655 ?
O8 Li1 O2 90.6(2) . 2_656 ?
O3 Li1 O2 149.2(3) . 2_656 ?
O7 Li1 O2 106.9(2) 1_655 2_656 ?
O8 Li1 O5 81.0(2) . . ?
O3 Li1 O5 102.5(2) . . ?
O7 Li1 O5 155.2(3) 1_655 . ?
O2 Li1 O5 57.62(15) 2_656 . ?
O8 Li1 B1 73.46(18) . 1_545 ?
O3 Li1 B1 133.3(3) . 1_545 ?
O7 Li1 B1 137.9(3) 1_655 1_545 ?
O2 Li1 B1 31.11(11) 2_656 1_545 ?
O5 Li1 B1 30.85(10) . 1_545 ?
O8 Li1 Li3 38.10(17) . 2_666 ?
O3 Li1 Li3 82.9(2) . 2_666 ?
O7 Li1 Li3 92.1(2) 1_655 2_666 ?
O2 Li1 Li3 125.1(3) 2_656 2_666 ?
O5 Li1 Li3 112.5(2) . 2_666 ?
B1 Li1 Li3 111.5(2) 1_545 2_666 ?
O8 Li1 Li2 80.4(2) . . ?
O3 Li1 Li2 38.00(14) . . ?
O7 Li1 Li2 117.6(2) 1_655 . ?
O2 Li1 Li2 132.8(3) 2_656 . ?
O5 Li1 Li2 75.20(18) . . ?
B1 Li1 Li2 103.3(2) 1_545 . ?
Li3 Li1 Li2 70.1(2) 2_666 . ?
O8 Li1 Li3 83.0(2) . 1_655 ?
O3 Li1 Li3 36.74(18) . 1_655 ?
O7 Li1 Li3 75.1(2) 1_655 1_655 ?
O2 Li1 Li3 173.3(3) 2_656 1_655 ?
O5 Li1 Li3 122.7(2) . 1_655 ?
B1 Li1 Li3 146.2(2) 1_545 1_655 ?
Li3 Li1 Li3 48.3(3) 2_666 1_655 ?
Li2 Li1 Li3 47.96(17) . 1_655 ?
O6 Li2 O3 122.0(3) . . ?
O6 Li2 O6 97.3(2) . 2_665 ?
O3 Li2 O6 109.5(2) . 2_665 ?
O6 Li2 O4 117.8(3) . 2_666 ?
O3 Li2 O4 94.7(2) . 2_666 ?
O6 Li2 O4 116.7(3) 2_665 2_666 ?
O6 Li2 Li2 49.95(17) . 2_665 ?
O3 Li2 Li2 130.6(3) . 2_665 ?
O6 Li2 Li2 47.35(17) 2_665 2_665 ?
O4 Li2 Li2 133.9(3) 2_666 2_665 ?
O6 Li2 Li3 155.0(3) . 1_655 ?
O3 Li2 Li3 52.87(18) . 1_655 ?
O6 Li2 Li3 107.4(3) 2_665 1_655 ?
O4 Li2 Li3 47.07(18) 2_666 1_655 ?
Li2 Li2 Li3 154.6(4) 2_665 1_655 ?
O6 Li2 P1 97.16(19) . 2_666 ?
O3 Li2 P1 121.1(2) . 2_666 ?
O6 Li2 P1 106.5(2) 2_665 2_666 ?
O4 Li2 P1 26.60(9) 2_666 2_666 ?
Li2 Li2 P1 108.1(3) 2_665 2_666 ?
Li3 Li2 P1 72.72(18) 1_655 2_666 ?
O6 Li2 P2 125.1(2) . 1_655 ?
O3 Li2 P2 24.81(9) . 1_655 ?
O6 Li2 P2 84.89(17) 2_665 1_655 ?
O4 Li2 P2 109.26(18) 2_666 1_655 ?
Li2 Li2 P2 110.9(3) 2_665 1_655 ?
Li3 Li2 P2 62.34(17) 1_655 1_655 ?
P1 Li2 P2 134.95(16) 2_666 1_655 ?
O6 Li2 Li1 90.0(2) . . ?
O3 Li2 Li1 40.66(15) . . ?
O6 Li2 Li1 144.4(2) 2_665 . ?
O4 Li2 Li1 89.6(2) 2_666 . ?
Li2 Li2 Li1 128.8(3) 2_665 . ?
Li3 Li2 Li1 72.2(2) 1_655 . ?
P1 Li2 Li1 107.12(18) 2_666 . ?
P2 Li2 Li1 62.91(14) 1_655 . ?
O6 Li2 P2 116.6(2) . 2_665 ?
O3 Li2 P2 104.79(19) . 2_665 ?
O6 Li2 P2 22.38(9) 2_665 2_665 ?
O4 Li2 P2 96.14(19) 2_666 2_665 ?
Li2 Li2 P2 67.6(2) 2_665 2_665 ?
Li3 Li2 P2 87.0(2) 1_655 2_665 ?
P1 Li2 P2 91.91(14) 2_666 2_665 ?
P2 Li2 P2 83.12(12) 1_655 2_665 ?
Li1 Li2 P2 145.43(19) . 2_665 ?
O6 Li2 Li3 107.0(2) . 2_666 ?
O3 Li2 Li3 71.74(17) . 2_666 ?
O6 Li2 Li3 150.3(2) 2_665 2_666 ?
O4 Li2 Li3 35.98(15) 2_666 2_666 ?
Li2 Li2 Li3 152.5(3) 2_665 2_666 ?
Li3 Li2 Li3 48.4(3) 1_655 2_666 ?
P1 Li2 Li3 54.54(13) 2_666 2_666 ?
P2 Li2 Li3 94.52(15) 1_655 2_666 ?
Li1 Li2 Li3 54.14(17) . 2_666 ?
P2 Li2 Li3 128.03(18) 2_665 2_666 ?
O8 Li3 O4 106.2(3) 2_666 2_566 ?
O8 Li3 O3 159.4(4) 2_666 1_455 ?
O4 Li3 O3 89.7(2) 2_566 1_455 ?
O8 Li3 O4 97.6(3) 2_666 . ?
O4 Li3 O4 101.8(3) 2_566 . ?
O3 Li3 O4 91.7(3) 1_455 . ?
O8 Li3 Li3 108.5(4) 2_666 2_566 ?
O4 Li3 Li3 55.7(2) 2_566 2_566 ?
O3 Li3 Li3 91.2(3) 1_455 2_566 ?
O4 Li3 Li3 46.1(3) . 2_566 ?
O8 Li3 Li2 139.9(4) 2_666 1_455 ?
O4 Li3 Li2 48.22(18) 2_566 1_455 ?
O3 Li3 Li2 46.23(16) 1_455 1_455 ?
O4 Li3 Li2 116.0(3) . 1_455 ?
Li3 Li3 Li2 83.1(3) 2_566 1_455 ?
O8 Li3 P2 130.0(3) 2_666 . ?
O4 Li3 P2 113.6(3) 2_566 . ?
O3 Li3 P2 29.48(11) 1_455 . ?
O4 Li3 P2 102.5(2) . . ?
Li3 Li3 P2 118.5(3) 2_566 . ?
Li2 Li3 P2 65.55(18) 1_455 . ?
O8 Li3 P1 101.6(3) 2_666 . ?
O4 Li3 P1 126.5(4) 2_566 . ?
O3 Li3 P1 78.2(2) 1_455 . ?
O4 Li3 P1 28.93(10) . . ?
Li3 Li3 P1 72.5(3) 2_566 . ?
Li2 Li3 P1 118.5(3) 1_455 . ?
P2 Li3 P1 78.26(15) . . ?
O8 Li3 Li1 40.03(17) 2_666 2_666 ?
O4 Li3 Li1 70.9(2) 2_566 2_666 ?
O3 Li3 Li1 159.7(3) 1_455 2_666 ?
O4 Li3 Li1 86.7(3) . 2_666 ?
Li3 Li3 Li1 73.2(3) 2_566 2_666 ?
Li2 Li3 Li1 117.2(3) 1_455 2_666 ?
P2 Li3 Li1 168.2(3) . 2_666 ?
P1 Li3 Li1 108.3(3) . 2_666 ?
O8 Li3 P1 23.59(12) 2_666 2_666 ?
O4 Li3 P1 120.8(3) 2_566 2_666 ?
O3 Li3 P1 135.9(3) 1_455 2_666 ?
O4 Li3 P1 109.8(2) . 2_666 ?
Li3 Li3 P1 131.5(4) 2_566 2_666 ?
Li2 Li3 P1 134.2(3) 1_455 2_666 ?
P2 Li3 P1 106.7(2) . 2_666 ?
P1 Li3 P1 102.31(17) . 2_666 ?
Li1 Li3 P1 62.73(16) 2_666 2_666 ?
O8 Li3 Li1 158.3(4) 2_666 1_455 ?
O4 Li3 Li1 81.5(2) 2_566 1_455 ?
O3 Li3 Li1 34.99(16) 1_455 1_455 ?
O4 Li3 Li1 60.7(2) . 1_455 ?
Li3 Li3 Li1 58.5(3) 2_566 1_455 ?
Li2 Li3 Li1 59.88(19) 1_455 1_455 ?
P2 Li3 Li1 59.99(15) . 1_455 ?
P1 Li3 Li1 59.10(17) . 1_455 ?
Li1 Li3 Li1 131.7(3) 2_666 1_455 ?
P1 Li3 Li1 157.7(2) 2_666 1_455 ?
O8 Li3 Li2 70.2(2) 2_666 2_666 ?
O4 Li3 Li2 94.5(3) 2_566 2_666 ?
O3 Li3 Li2 122.5(3) 1_455 2_666 ?
O4 Li3 Li2 31.45(14) . 2_666 ?
Li3 Li3 Li2 48.5(3) 2_566 2_666 ?
Li2 Li3 Li2 131.6(3) 1_455 2_666 ?
P2 Li3 Li2 132.2(3) . 2_666 ?
P1 Li3 Li2 54.11(16) . 2_666 ?
Li1 Li3 Li2 55.73(18) 2_666 2_666 ?
P1 Li3 Li2 88.51(17) 2_666 2_666 ?
Li1 Li3 Li2 89.2(2) 1_455 2_666 ?
O1 B1 O5 113.1(2) . 1_565 ?
O1 B1 O2 110.9(2) . 2_666 ?
O5 B1 O2 105.0(2) 1_565 2_666 ?
O1 B1 O7 105.5(2) . 1_565 ?
O5 B1 O7 111.4(2) 1_565 1_565 ?
O2 B1 O7 111.1(2) 2_666 1_565 ?
O1 B1 Li1 154.6(2) . 1_565 ?
O5 B1 Li1 66.10(17) 1_565 1_565 ?
O2 B1 Li1 49.38(16) 2_666 1_565 ?
O7 B1 Li1 97.78(18) 1_565 1_565 ?
O8 P1 O4 114.25(11) . . ?
O8 P1 O7 110.36(10) . . ?
O4 P1 O7 107.89(10) . . ?
O8 P1 O2 110.89(10) . . ?
O4 P1 O2 109.24(10) . . ?
O7 P1 O2 103.63(10) . . ?
O8 P1 Li2 105.07(12) . 2_666 ?
O4 P1 Li2 35.88(11) . 2_666 ?
O7 P1 Li2 138.87(11) . 2_666 ?
O2 P1 Li2 81.97(12) . 2_666 ?
O8 P1 Li3 79.82(15) . . ?
O4 P1 Li3 45.46(16) . . ?
O7 P1 Li3 94.79(13) . . ?
O2 P1 Li3 153.15(15) . . ?
Li2 P1 Li3 71.35(16) 2_666 . ?
O8 P1 Li3 30.29(15) . 2_666 ?
O4 P1 Li3 94.31(14) . 2_666 ?
O7 P1 Li3 140.45(16) . 2_666 ?
O2 P1 Li3 99.06(17) . 2_666 ?
Li2 P1 Li3 75.84(16) 2_666 2_666 ?
Li3 P1 Li3 77.69(17) . 2_666 ?
O6 P2 O3 112.44(11) . 1_455 ?
O6 P2 O1 107.25(11) . 2_565 ?
O3 P2 O1 111.18(10) 1_455 2_565 ?
O6 P2 O5 109.37(10) . . ?
O3 P2 O5 110.21(10) 1_455 . ?
O1 P2 O5 106.15(10) 2_565 . ?
O6 P2 Li3 72.09(17) . . ?
O3 P2 Li3 43.45(14) 1_455 . ?
O1 P2 Li3 140.98(15) 2_565 . ?
O5 P2 Li3 110.73(16) . . ?
O6 P2 Li2 97.59(12) . 1_455 ?
O3 P2 Li2 32.08(11) 1_455 1_455 ?
O1 P2 Li2 90.55(11) 2_565 1_455 ?
O5 P2 Li2 141.67(12) . 1_455 ?
Li3 P2 Li2 52.11(14) . 1_455 ?
O6 P2 Li2 29.81(11) . 2_665 ?
O3 P2 Li2 124.20(12) 1_455 2_665 ?
O1 P2 Li2 77.47(11) 2_565 2_665 ?
O5 P2 Li2 120.07(11) . 2_665 ?
Li3 P2 Li2 94.42(18) . 2_665 ?
Li2 P2 Li2 96.87(12) 1_455 2_665 ?
B1 O1 P2 130.80(17) . 2_565 ?
B1 O2 P1 125.54(16) 2_666 . ?
B1 O2 Li1 99.5(2) 2_666 2_656 ?
P1 O2 Li1 113.00(19) . 2_656 ?
P2 O3 Li2 123.11(18) 1_655 . ?
P2 O3 Li1 126.38(19) 1_655 . ?
Li2 O3 Li1 101.3(2) . . ?
P2 O3 Li3 107.1(2) 1_655 1_655 ?
Li2 O3 Li3 80.9(2) . 1_655 ?
Li1 O3 Li3 108.3(3) . 1_655 ?
P1 O4 Li3 152.0(2) . 2_566 ?
P1 O4 Li2 117.52(17) . 2_666 ?
Li3 O4 Li2 84.7(2) 2_566 2_666 ?
P1 O4 Li3 105.60(19) . . ?
Li3 O4 Li3 78.2(3) 2_566 . ?
Li2 O4 Li3 112.6(2) 2_666 . ?
B1 O5 P2 130.57(16) 1_545 . ?
B1 O5 Li1 83.04(18) 1_545 . ?
P2 O5 Li1 120.59(16) . . ?
P2 O6 Li2 139.68(19) . . ?
P2 O6 Li2 127.81(18) . 2_665 ?
Li2 O6 Li2 82.7(2) . 2_665 ?
B1 O7 P1 124.14(15) 1_545 . ?
B1 O7 Li1 107.8(2) 1_545 1_455 ?
P1 O7 Li1 115.01(18) . 1_455 ?
P1 O8 Li3 126.1(3) . 2_666 ?
P1 O8 Li1 128.8(2) . . ?
Li3 O8 Li1 101.9(3) 2_666 . ?

_database_code_depnum_ccdc_archive 'CCDC 966781'