The structure described by LiBaB9O15 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_BaLi(B3O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.631
_cell_length_b   8.631
_cell_length_c   8.631
_cell_angle_alpha   80.723
_cell_angle_beta   80.723
_cell_angle_gamma   80.723
_symmetry_Int_Tables_number   1
_cell_volume   620.122
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.750  0.750  0.750  1.0
  Li  Li3  1  0.250  0.250  0.250  1.0
  B  B4  1  0.750  0.320  0.180  1.0
  B  B5  1  0.581  0.107  0.244  1.0
  B  B6  1  0.250  0.680  0.820  1.0
  B  B7  1  0.244  0.581  0.107  1.0
  B  B8  1  0.893  0.756  0.419  1.0
  B  B9  1  0.081  0.744  0.607  1.0
  B  B10  1  0.680  0.820  0.250  1.0
  B  B11  1  0.256  0.393  0.919  1.0
  B  B12  1  0.919  0.256  0.393  1.0
  B  B13  1  0.393  0.919  0.256  1.0
  B  B14  1  0.180  0.750  0.320  1.0
  B  B15  1  0.107  0.244  0.581  1.0
  B  B16  1  0.820  0.250  0.680  1.0
  B  B17  1  0.744  0.607  0.081  1.0
  B  B18  1  0.756  0.419  0.893  1.0
  B  B19  1  0.419  0.893  0.756  1.0
  B  B20  1  0.320  0.180  0.750  1.0
  B  B21  1  0.607  0.081  0.744  1.0
  O  O22  1  0.297  0.012  0.777  1.0
  O  O23  1  0.898  0.242  0.243  1.0
  O  O24  1  0.602  0.257  0.258  1.0
  O  O25  1  0.243  0.898  0.242  1.0
  O  O26  1  0.512  0.797  0.277  1.0
  O  O27  1  0.924  0.750  0.576  1.0
  O  O28  1  0.076  0.250  0.424  1.0
  O  O29  1  0.242  0.243  0.898  1.0
  O  O30  1  0.277  0.512  0.797  1.0
  O  O31  1  0.743  0.742  0.398  1.0
  O  O32  1  0.742  0.398  0.743  1.0
  O  O33  1  0.758  0.757  0.102  1.0
  O  O34  1  0.576  0.924  0.750  1.0
  O  O35  1  0.750  0.576  0.924  1.0
  O  O36  1  0.988  0.223  0.703  1.0
  O  O37  1  0.257  0.258  0.602  1.0
  O  O38  1  0.723  0.488  0.203  1.0
  O  O39  1  0.012  0.777  0.297  1.0
  O  O40  1  0.757  0.102  0.758  1.0
  O  O41  1  0.777  0.297  0.012  1.0
  O  O42  1  0.250  0.424  0.076  1.0
  O  O43  1  0.797  0.277  0.512  1.0
  O  O44  1  0.203  0.723  0.488  1.0
  O  O45  1  0.703  0.988  0.223  1.0
  O  O46  1  0.424  0.076  0.250  1.0
  O  O47  1  0.102  0.758  0.757  1.0
  O  O48  1  0.258  0.602  0.257  1.0
  O  O49  1  0.223  0.703  0.988  1.0
  O  O50  1  0.398  0.743  0.742  1.0
  O  O51  1  0.488  0.203  0.723  1.0
[/CIF]
.
The structure described by LiBaB9O15 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share edges with two equivalent Ba(1)O12 cuboctahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_BaLi(B3O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.631
_cell_length_b   8.631
_cell_length_c   8.631
_cell_angle_alpha   80.723
_cell_angle_beta   80.723
_cell_angle_gamma   80.723
_symmetry_Int_Tables_number   1
_cell_volume   620.122
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.750  0.750  0.750  1.0
  Li  Li3  1  0.250  0.250  0.250  1.0
  B  B4  1  0.750  0.320  0.180  1.0
  B  B5  1  0.581  0.107  0.244  1.0
  B  B6  1  0.250  0.680  0.820  1.0
  B  B7  1  0.244  0.581  0.107  1.0
  B  B8  1  0.893  0.756  0.419  1.0
  B  B9  1  0.081  0.744  0.607  1.0
  B  B10  1  0.680  0.820  0.250  1.0
  B  B11  1  0.256  0.393  0.919  1.0
  B  B12  1  0.919  0.256  0.393  1.0
  B  B13  1  0.393  0.919  0.256  1.0
  B  B14  1  0.180  0.750  0.320  1.0
  B  B15  1  0.107  0.244  0.581  1.0
  B  B16  1  0.820  0.250  0.680  1.0
  B  B17  1  0.744  0.607  0.081  1.0
  B  B18  1  0.756  0.419  0.893  1.0
  B  B19  1  0.419  0.893  0.756  1.0
  B  B20  1  0.320  0.180  0.750  1.0
  B  B21  1  0.607  0.081  0.744  1.0
  O  O22  1  0.297  0.012  0.777  1.0
  O  O23  1  0.898  0.242  0.243  1.0
  O  O24  1  0.602  0.257  0.258  1.0
  O  O25  1  0.243  0.898  0.242  1.0
  O  O26  1  0.512  0.797  0.277  1.0
  O  O27  1  0.924  0.750  0.576  1.0
  O  O28  1  0.076  0.250  0.424  1.0
  O  O29  1  0.242  0.243  0.898  1.0
  O  O30  1  0.277  0.512  0.797  1.0
  O  O31  1  0.743  0.742  0.398  1.0
  O  O32  1  0.742  0.398  0.743  1.0
  O  O33  1  0.758  0.757  0.102  1.0
  O  O34  1  0.576  0.924  0.750  1.0
  O  O35  1  0.750  0.576  0.924  1.0
  O  O36  1  0.988  0.223  0.703  1.0
  O  O37  1  0.257  0.258  0.602  1.0
  O  O38  1  0.723  0.488  0.203  1.0
  O  O39  1  0.012  0.777  0.297  1.0
  O  O40  1  0.757  0.102  0.758  1.0
  O  O41  1  0.777  0.297  0.012  1.0
  O  O42  1  0.250  0.424  0.076  1.0
  O  O43  1  0.797  0.277  0.512  1.0
  O  O44  1  0.203  0.723  0.488  1.0
  O  O45  1  0.703  0.988  0.223  1.0
  O  O46  1  0.424  0.076  0.250  1.0
  O  O47  1  0.102  0.758  0.757  1.0
  O  O48  1  0.258  0.602  0.257  1.0
  O  O49  1  0.223  0.703  0.988  1.0
  O  O50  1  0.398  0.743  0.742  1.0
  O  O51  1  0.488  0.203  0.723  1.0
[/CIF]
.