The crystal structure described by LiBa3In11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form face-sharing LiIn12 cuboctahedra. Ba(1) is bonded in a 14-coordinate geometry to two equivalent In(2), four equivalent In(3), and eight equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 11-coordinate geometry to one Li(1), four equivalent Ba(1), one In(3), two equivalent In(1), and three equivalent In(2) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent In(2), and six equivalent In(1) atoms. In the third In site, In(3) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba3LiIn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.525
_cell_length_b   10.525
_cell_length_c   9.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   922.468
_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  0.517  0.034  0.250  1.0
  Ba  Ba1  1  0.483  0.966  0.750  1.0
  Ba  Ba2  1  0.966  0.483  0.250  1.0
  Ba  Ba3  1  0.034  0.517  0.750  1.0
  Ba  Ba4  1  0.517  0.483  0.250  1.0
  Ba  Ba5  1  0.483  0.517  0.750  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  In  In8  1  0.169  0.339  0.047  1.0
  In  In9  1  0.831  0.661  0.953  1.0
  In  In10  1  0.661  0.831  0.047  1.0
  In  In11  1  0.831  0.661  0.547  1.0
  In  In12  1  0.339  0.169  0.953  1.0
  In  In13  1  0.169  0.339  0.453  1.0
  In  In14  1  0.169  0.831  0.047  1.0
  In  In15  1  0.339  0.169  0.547  1.0
  In  In16  1  0.831  0.169  0.953  1.0
  In  In17  1  0.661  0.831  0.453  1.0
  In  In18  1  0.831  0.169  0.547  1.0
  In  In19  1  0.169  0.831  0.453  1.0
  In  In20  1  0.897  0.795  0.250  1.0
  In  In21  1  0.103  0.205  0.750  1.0
  In  In22  1  0.205  0.103  0.250  1.0
  In  In23  1  0.795  0.897  0.750  1.0
  In  In24  1  0.897  0.103  0.250  1.0
  In  In25  1  0.103  0.897  0.750  1.0
  In  In26  1  0.333  0.667  0.046  1.0
  In  In27  1  0.667  0.333  0.954  1.0
  In  In28  1  0.667  0.333  0.546  1.0
  In  In29  1  0.333  0.667  0.454  1.0
[/CIF]
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The crystal structure described by LiBa3In11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form face-sharing LiIn12 cuboctahedra. Ba(1) is bonded in a 14-coordinate geometry to two equivalent In(2), four equivalent In(3), and eight equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 11-coordinate geometry to one Li(1), four equivalent Ba(1), one In(3), two equivalent In(1), and three equivalent In(2) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent In(2), and six equivalent In(1) atoms. In the third In site, In(3) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Ba3LiIn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.525
_cell_length_b   10.525
_cell_length_c   9.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   922.468
_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  0.517  0.034  0.250  1.0
  Ba  Ba1  1  0.483  0.966  0.750  1.0
  Ba  Ba2  1  0.966  0.483  0.250  1.0
  Ba  Ba3  1  0.034  0.517  0.750  1.0
  Ba  Ba4  1  0.517  0.483  0.250  1.0
  Ba  Ba5  1  0.483  0.517  0.750  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Li  Li7  1  0.000  0.000  0.500  1.0
  In  In8  1  0.169  0.339  0.047  1.0
  In  In9  1  0.831  0.661  0.953  1.0
  In  In10  1  0.661  0.831  0.047  1.0
  In  In11  1  0.831  0.661  0.547  1.0
  In  In12  1  0.339  0.169  0.953  1.0
  In  In13  1  0.169  0.339  0.453  1.0
  In  In14  1  0.169  0.831  0.047  1.0
  In  In15  1  0.339  0.169  0.547  1.0
  In  In16  1  0.831  0.169  0.953  1.0
  In  In17  1  0.661  0.831  0.453  1.0
  In  In18  1  0.831  0.169  0.547  1.0
  In  In19  1  0.169  0.831  0.453  1.0
  In  In20  1  0.897  0.795  0.250  1.0
  In  In21  1  0.103  0.205  0.750  1.0
  In  In22  1  0.205  0.103  0.250  1.0
  In  In23  1  0.795  0.897  0.750  1.0
  In  In24  1  0.897  0.103  0.250  1.0
  In  In25  1  0.103  0.897  0.750  1.0
  In  In26  1  0.333  0.667  0.046  1.0
  In  In27  1  0.667  0.333  0.954  1.0
  In  In28  1  0.667  0.333  0.546  1.0
  In  In29  1  0.333  0.667  0.454  1.0
[/CIF]
.