# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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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#  For further information on the CCDC, data deposition and
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#                         www.ccdc.cam.ac.uk
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data_1
_chemical_name_mineral           ?AlLi2(BH4)5(NH3)6+3AB?
_cell_length_a                   23.12205(29)
_cell_length_b                   23.12205(29)
_cell_length_c                   23.12205(29)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12361.72(47)
_symmetry_space_group_name_H-M   F23
loop_
_symmetry_equiv_pos_as_xyz
'-x, -y, z'
'-x, -y+1/2, z+1/2'
'-x, y, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, -y+1/2, z'
'-x+1/2, y, -z+1/2'
'-x+1/2, y+1/2, -z'
'-y, -z, x'
'-y, -z+1/2, x+1/2'
'-y, z, -x'
'-y, z+1/2, -x+1/2'
'-y+1/2, -z, x+1/2'
'-y+1/2, -z+1/2, x'
'-y+1/2, z, -x+1/2'
'-y+1/2, z+1/2, -x'
'-z, -x, y'
'-z, -x+1/2, y+1/2'
'-z, x, -y'
'-z, x+1/2, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, -x+1/2, y'
'-z+1/2, x, -y+1/2'
'-z+1/2, x+1/2, -y'
'z, -x, -y'
'z, -x+1/2, -y+1/2'
'z, x, y'
'z, x+1/2, y+1/2'
'z+1/2, -x, -y+1/2'
'z+1/2, -x+1/2, -y'
'z+1/2, x, y+1/2'
'z+1/2, x+1/2, y'
'y, -z, -x'
'y, -z+1/2, -x+1/2'
'y, z, x'
'y, z+1/2, x+1/2'
'y+1/2, -z, -x+1/2'
'y+1/2, -z+1/2, -x'
'y+1/2, z, x+1/2'
'y+1/2, z+1/2, x'
'x, -y, -z'
'x, -y+1/2, -z+1/2'
'x, y, z'
'x, y+1/2, z+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, -y+1/2, -z'
'x+1/2, y, z+1/2'
'x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Li1 Li 16 0.94292(11) 0.94292(11) 0.94292(11) 1 1.81(19)
Li2 Li 16 0.55237(10) 0.55237(10) 0.55237(10) 1 1.81(19)
Al1 Al 16 0.63435(17) 0.63435(17) 0.63435(17) 1 3.79(45)
B11 B 48 0.25727 0.11806 0.32779 1 1.90(67)
H11a H 48 0.2480753 0.07011423 0.3300362 1 0.80(20)
H11b H 48 0.2468311 0.1373183 0.3714767 1 0.80(20)
H11c H 48 0.3041657 0.1235955 0.3151989 1 0.80(20)
H11d H 48 0.2289619 0.1387894 0.2937705 1 0.80(20)
B12 B 16 0.39021 0.39021 0.39021 1 1.90(67)
H12a H 48 0.3735437 0.3524165 0.4163303 1 0.80(20)
H12b H 16 0.41841(81) 0.41841(81) 0.41841(81) 1 0.80(20)
B13 B 16 -0.14265 -0.14265 -0.14265 1 1.90(67)
H13a H 48 -0.1878929 -0.1242348 -0.1441807 1 0.80(20)
H13b H 16 -0.11445(15) -0.11445(15) -0.11445(15) 1 0.80(20)
N21 N 48 -0.32157 -0.09793 0.79711 1 2.61(26)
H21a H 48 -0.3164137 -0.06030262 0.8168793 1 0.80(20)
H21b H 48 -0.2856639 -0.1080436 0.7760934 1 0.80(20)
H21c H 48 -0.3540541 -0.09513961 0.769357 1 0.80(20)
N22 N 48 -0.07724 0.65524 -0.04536 1 2.61(26)
H22a H 48 -0.04092403 0.635803 -0.03367295 1 0.80(20)
H22b H 48 -0.07007403 0.6791346 -0.08015845 1 0.80(20)
H22c H 48 -0.09095129 0.6802608 -0.01343521 1 0.80(20)
B1 B 48 0.31729 0.48686 -0.91647 1 1.90(67)
H1a H 48 0.3450508 0.5019479 -0.8738568 1 0.80(20)
H1b H 48 0.328823 0.516724 -0.9585424 1 0.80(20)
H1c H 48 0.2655221 0.489282 -0.9073505 1 0.80(20)
N2 N 48 0.3337726 0.4216446 -0.9308763 1 2.61(26)
H2a H 48 0.3327 0.3955595 -0.8947128 1 0.80(20)
H2b H 48 0.3050319 0.4033364 -0.9596071 1 0.80(20)
H2c H 48 0.3746053 0.4175971 -0.9488617 1 0.80(20)
_database_code_depnum_ccdc_archive 'CCDC 940440'