data_global
_chemical_name_systematic
;
Lithium Aluminum Boron Oxide (2/1/5/10)
;
_chemical_formula_structural       'Li2 Al B5 O10'
_chemical_formula_sum              'Al Li2 B5 O10'
_publ_section_title
;
A structural study of LiAlB~5~O~10~
;
loop_
_publ_author_name
  'He, M'
  'Li, H'
  'Chen, X'
  'Xu, Y '
  'Xu, T'
_journal_name_full                 'Acta Cryst C'
_journal_volume                    57
_journal_year                      2001
_journal_page_first                1010
_journal_page_last                 1011
_cell_length_a                      7.0402(4)
_cell_length_b                      14.9404(8)
_cell_length_c                      7.0433(4)
_cell_angle_alpha                   90
_cell_angle_beta                    90.7020(10)              
_cell_angle_gamma                   90
_cell_volume                        740.78(7)
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   1.000
  Al3+   3.000
  B3+    3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Li1    Li1+   4   e   0.10330(27)  0.17197(12)   -0.00053(29)      1.      0 d
  Li2    Li1+   4   e   0.30626(31)  0.57076(13)    0.08541(28)      1.      0 d
  Al     Li3+   4   e   0.14974(4)   0.37577(2)     0.03729(4)       1.      0 d
  B1     B3+    4   e  -0.20982(15)  0.27914(7)    -0.02048(15)      1.      0 d
  B2     B3+    4   e   0.20154(14)  0.47201(7)     0.40124(14)      1.      0 d
  B3     B3+    4   e   0.24323(14)  0.49977(7)    -0.26461(14)      1.      0 d
  B4     B3+    4   e   0.45556(14)  0.24680(7)     0.00024(14)      1.      0 d
  B5     B3+    4   e   0.67924(15)  0.12016(6)    -0.00738(16)      1.      0 d
  O1     O2-    4   e  -0.07948(10)  0.34515(5)    -0.03203(10)      1.      0 d
  O2     O2-    4   e   0.27404(10)  0.27577(5)     0.01353(10)      1.      0 d
  O3     O2-    4   e   0.14951(11)  0.40908(5)     0.27338(10)      1.      0 d
  O4     O2-    4   e   0.24280(11)  0.46799(5)    -0.08301(10)      1.      0 d
  O5     O2-    4   e   0.28242(10)  0.55170(4)     0.35823(10)      1.      0 d
  O6     O2-    4   e   0.16369(10)  0.44861(4)     0.58969(10)      1.      0 d
  O7     O2-    4   e   0.49563(10)  0.15948(4)     0.02629(11)      1.      0 d
  O8     O2-    4   e  -0.16799(10)  0.19115(5)     0.00542(10)      1.      0 d
  O9     O2-    4   e  -0.39874(10)  0.30678(4)    -0.03956(10)      1.      0 d
  O10    O2-    4   e   0.31935(10)  0.58014(5)    -0.30375(10)      1.      0 d
_refine_ls_R_factor_all           0.034