data_2012178
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1010
_journal_page_last  1011
_publ_section_title
;
Li~2~AlB~5~O~10~
;
loop_
_publ_author_name
  'He, Meng'
  'Li, Hui'
  'Chen, Xiaolong'
  'Xu, Yanping'
  'Xu, Tao'
_chemical_formula_moiety  'Al B5 Li2 O10'
_chemical_formula_sum  'Al B5 Li2 O10'
_chemical_formula_iupac  'Li2 AlB5 O10 '
_chemical_formula_weight  254.91
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
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'
_cell_length_a  7.0402(4)
_cell_length_b  14.9404(8)
_cell_length_c  7.0433(4)
_cell_angle_alpha  90.00
_cell_angle_beta  90.7020(10)
_cell_angle_gamma  90.00
_cell_volume  740.78(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  2.286
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Al1  .14974(4)  .375767(17)  .03729(4)  .00961(10) Uani d . 1 . . Al
  B1  -.20982(15)  .27914(7)  -.02048(15)  .01181(18) Uani d . 1 . . B
  B2  .20154(14)  .47201(7)  .40124(14)  .01128(18) Uani d . 1 . . B
  B3  .24323(14)  .49977(7)  -.26461(14)  .01174(18) Uani d . 1 . . B
  B4  .45556(14)  .24680(7)  .00024(14)  .01154(18) Uani d . 1 . . B
  B5  .67924(15)  .12016(6)  -.00738(16)  .01230(19) Uani d . 1 . . B
  O1  -.07948(10)  .34515(5)  -.03203(10)  .01405(15) Uani d . 1 . . O
  O2  .27404(10)  .27577(5)  .01353(11)  .01486(15) Uani d . 1 . . O
  O3  .14951(11)  .40908(5)  .27338(10)  .01409(15) Uani d . 1 . . O
  O4  .24280(11)  .46799(5)  -.08301(10)  .01533(15) Uani d . 1 . . O
  O5  .28242(10)  .55170(4)  .35823(10)  .01338(15) Uani d . 1 . . O
  O6  .16369(10)  .44861(4)  .58969(10)  .01250(14) Uani d . 1 . . O
  O7  .49563(10)  .15948(4)  .02629(11)  .01519(15) Uani d . 1 . . O
  O8  -.16799(10)  .19115(5)  .00542(11)  .01511(15) Uani d . 1 . . O
  O9  -.39874(10)  .30678(4)  -.03956(10)  .01498(15) Uani d . 1 . . O
  O10  .31935(11)  .58014(5)  -.30375(10)  .01587(15) Uani d . 1 . . O
  Li1  .1033(3)  .17197(12)  -.0005(3)  .0190(3) Uani d . 1 . . Li
  Li2  .3063(3)  .57076(13)  .0854(3)  .0213(4) Uani d . 1 . . Li
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Al1  .00893(15)  .00830(15)  .01159(15)  -.00029(8)  .00032(10)  -.00053(8)
  B1  .0099(4)  .0106(4)  .0149(4)  .0001(3)  -.0007(3)  -.0001(3)
  B2  .0113(4)  .0101(4)  .0125(4)  -.0009(3)  .0008(3)  -.0002(3)
  B3  .0117(4)  .0107(4)  .0128(4)  -.0004(3)  .0006(3)  -.0007(3)
  B4  .0099(4)  .0110(4)  .0137(4)  .0007(3)  -.0002(3)  -.0011(3)
  B5  .0119(4)  .0089(4)  .0161(4)  .0015(3)  .0009(3)  -.0002(3)
  O1  .0102(3)  .0116(3)  .0203(3)  -.0013(2)  -.0015(2)  .0006(2)
  O2  .0091(3)  .0115(3)  .0240(3)  .0015(2)  .0013(2)  -.0018(2)
  O3  .0175(3)  .0124(3)  .0125(3)  -.0030(2)  .0008(2)  -.0019(2)
  O4  .0208(4)  .0131(3)  .0120(3)  -.0043(2)  .0001(2)  .0010(2)
  O5  .0168(3)  .0093(3)  .0141(3)  -.0028(2)  .0016(2)  .0003(2)
  O6  .0152(3)  .0107(3)  .0116(3)  -.0025(2)  .0006(2)  -.0001(2)
  O7  .0103(3)  .0095(3)  .0258(4)  .0009(2)  .0026(3)  .0002(2)
  O8  .0108(3)  .0094(3)  .0252(3)  .0007(2)  .0010(3)  .0011(2)
  O9  .0098(3)  .0105(3)  .0247(4)  .0002(2)  -.0006(2)  .0021(2)
  O10  .0214(4)  .0117(3)  .0145(3)  -.0055(2)  -.0009(3)  .0003(2)
  Li1  .0167(9)  .0126(7)  .0277(9)  -.0002(6)  -.0009(7)  -.0015(7)
  Li2  .0293(10)  .0143(8)  .0204(9)  -.0019(7)  -.0010(7)  .0007(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Al1 O3 . 1.7357(7) Y
  Al1 O2 . 1.7405(7) Y
  Al1 O1 . 1.7414(7) Y
  Al1 O4 . 1.7491(7) Y
  Al1 Li1 . 3.0735(19) ?
  Al1 Li2 . 3.132(2) ?
  B1 O1 . 1.3502(12) Y
  B1 O8 . 1.3591(12) Y
  B1 O9 . 1.3976(12) Y
  B1 Li2 3_565 2.386(2) ?
  B1 Li1 . 2.727(2) ?
  B2 O3 . 1.3495(11) Y
  B2 O5 . 1.3556(12) Y
  B2 O6 . 1.4013(12) Y
  B2 Li1 4_566 2.366(2) ?
  B2 Li2 . 2.776(2) ?
  B3 O10 . 1.3447(12) Y
  B3 O4 . 1.3644(12) Y
  B3 O6 1_554 1.3917(12) Y
  B3 Li2 . 2.715(2) ?
  B4 O7 . 1.3469(12) Y
  B4 O2 . 1.3536(12) Y
  B4 O9 1_655 1.3931(12) Y
  B4 Li1 . 2.720(2) ?
  B5 O7 . 1.4421(12) Y
  B5 O10 2_644 1.4586(13) Y
  B5 O5 2_645 1.4885(12) Y
  B5 O8 1_655 1.5124(12) Y
  Li2 O1 3_565 2.063(2) ?
  Li1 O2 . 1.964(2) Y
  O3 Li1 4_566 2.030(2) ?
  Li2 O4 . 1.988(2) Y
  O5 B5 2_655 1.4885(12) ?
  Li2 O5 . 1.952(2) Y
  O6 B3 1_556 1.3917(12) ?
  O6 Li1 4_566 1.955(2) ?
  O8 B5 1_455 1.5124(12) ?
  Li1 O8 . 1.932(2) Y
  O9 B4 1_455 1.3931(12) ?
  O9 Li2 3_565 1.970(2) ?
  O10 B5 2_654 1.4586(13) ?
  Li1 O6 4_565 1.955(2) Y
  Li1 O3 4_565 2.030(2) Y
  Li1 B2 4_565 2.366(2) N
  Li2 O9 3_565 1.970(2) Y
  Li2 O1 3_565 2.063(2) Y
  Li2 B1 3_565 2.386(2) ?