The material described by Ba4In6O13 crystallizes in the orthorhombic Iba2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(4), one O(7), two equivalent O(1), two equivalent O(6), and three equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(6), and three equivalent O(7) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one O(4), one O(7), and three equivalent O(3) atoms to form distorted InO5 trigonal bipyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(2)O5 trigonal bipyramids, corners with four equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one In(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the second In site, In(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted InO5 trigonal bipyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(1)O5 trigonal bipyramids, corners with two equivalent In(2)O5 trigonal bipyramids, and edges with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the third In site, In(3) is bonded to one O(2), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form InO6 octahedra that share corners with four equivalent In(3)O6 octahedra,  a cornercorner with one In(1)O5 trigonal bipyramid, and  a cornercorner with one In(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-8°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(3) atoms to form distorted OBa4In2 octahedra that share corners with two equivalent O(6)Ba4In2 octahedra, corners with two equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(6)Ba4In2 octahedra, faces with two equivalent O(1)Ba4In2 octahedra, and faces with two equivalent O(6)Ba4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one In(2), and one In(3) atom. In the third O site, O(3) is bonded to one Ba(2) and three equivalent In(1) atoms to form OBaIn3 tetrahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(6)Ba4In2 octahedra, corners with three equivalent O(4)BaIn3 tetrahedra, corners with four equivalent O(3)BaIn3 tetrahedra, and  an edgeedge with one O(3)BaIn3 tetrahedra. The corner-sharing octahedral tilt angles range from 28-66°. In the fourth O site, O(4) is bonded to one Ba(1), one In(1), and two equivalent In(2) atoms to form distorted OBaIn3 tetrahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(6)Ba4In2 octahedra, corners with two equivalent O(4)BaIn3 tetrahedra, corners with three equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(5)In4 trigonal pyramids, and  an edgeedge with one O(5)In4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-70°. In the fifth O site, O(5) is bonded to four equivalent In(2) atoms to form distorted OIn4 trigonal pyramids that share corners with four equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(4)BaIn3 tetrahedra, and edges with two equivalent O(5)In4 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(3) atoms to form distorted OBa4In2 octahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(1)Ba4In2 octahedra, faces with two equivalent O(1)Ba4In2 octahedra, and faces with two equivalent O(6)Ba4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one In(1), and one In(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4In6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.627
_cell_length_b   12.627
_cell_length_c   12.627
_cell_angle_alpha   153.063
_cell_angle_beta   123.030
_cell_angle_gamma   64.114
_symmetry_Int_Tables_number   1
_cell_volume   758.120
_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  0.028  0.162  0.877  1.0
  Ba  Ba1  1  0.715  0.349  0.377  1.0
  Ba  Ba2  1  0.213  0.340  0.879  1.0
  Ba  Ba3  1  0.285  0.662  0.634  1.0
  Ba  Ba4  1  0.972  0.849  0.134  1.0
  Ba  Ba5  1  0.461  0.840  0.628  1.0
  Ba  Ba6  1  0.787  0.666  0.128  1.0
  Ba  Ba7  1  0.539  0.166  0.379  1.0
  In  In8  1  0.345  0.962  0.400  1.0
  In  In9  1  0.088  0.519  0.683  1.0
  In  In10  1  0.562  0.462  0.117  1.0
  In  In11  1  0.374  0.252  0.127  1.0
  In  In12  1  0.626  0.753  0.879  1.0
  In  In13  1  0.655  0.055  0.617  1.0
  In  In14  1  0.912  0.595  0.431  1.0
  In  In15  1  0.438  0.555  0.900  1.0
  In  In16  1  0.163  0.095  0.183  1.0
  In  In17  1  0.837  0.019  0.931  1.0
  In  In18  1  0.126  0.752  0.379  1.0
  In  In19  1  0.874  0.253  0.627  1.0
  O  O20  1  0.496  1.000  0.002  1.0
  O  O21  1  0.992  0.365  0.623  1.0
  O  O22  1  0.466  0.925  0.300  1.0
  O  O23  1  0.252  0.429  0.613  1.0
  O  O24  1  0.748  0.361  0.178  1.0
  O  O25  1  0.375  0.333  0.800  1.0
  O  O26  1  0.008  0.631  0.374  1.0
  O  O27  1  0.000  0.283  0.283  1.0
  O  O28  1  0.000  0.783  0.783  1.0
  O  O29  1  0.534  0.833  0.458  1.0
  O  O30  1  0.504  0.506  0.503  1.0
  O  O31  1  0.241  1.000  0.754  1.0
  O  O32  1  0.759  0.513  0.759  1.0
  O  O33  1  0.477  0.338  0.102  1.0
  O  O34  1  0.997  0.500  0.003  1.0
  O  O35  1  0.755  0.013  0.254  1.0
  O  O36  1  0.003  0.006  0.502  1.0
  O  O37  1  0.258  0.131  0.123  1.0
  O  O38  1  0.236  0.838  0.361  1.0
  O  O39  1  0.183  0.861  0.113  1.0
  O  O40  1  0.764  0.125  0.602  1.0
  O  O41  1  0.523  0.625  0.861  1.0
  O  O42  1  0.245  0.500  0.259  1.0
  O  O43  1  0.625  0.425  0.958  1.0
  O  O44  1  0.817  0.929  0.678  1.0
  O  O45  1  0.742  0.865  0.874  1.0
[/CIF]
.
The material described by Ba4In6O13 crystallizes in the orthorhombic Iba2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(4), one O(7), two equivalent O(1), two equivalent O(6), and three equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(6), and three equivalent O(7) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one O(4), one O(7), and three equivalent O(3) atoms to form distorted InO5 trigonal bipyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(2)O5 trigonal bipyramids, corners with four equivalent In(1)O5 trigonal bipyramids, and  an edgeedge with one In(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. In the second In site, In(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted InO5 trigonal bipyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent In(1)O5 trigonal bipyramids, corners with two equivalent In(2)O5 trigonal bipyramids, and edges with three equivalent In(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the third In site, In(3) is bonded to one O(2), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form InO6 octahedra that share corners with four equivalent In(3)O6 octahedra,  a cornercorner with one In(1)O5 trigonal bipyramid, and  a cornercorner with one In(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-8°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(3) atoms to form distorted OBa4In2 octahedra that share corners with two equivalent O(6)Ba4In2 octahedra, corners with two equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(6)Ba4In2 octahedra, faces with two equivalent O(1)Ba4In2 octahedra, and faces with two equivalent O(6)Ba4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one In(2), and one In(3) atom. In the third O site, O(3) is bonded to one Ba(2) and three equivalent In(1) atoms to form OBaIn3 tetrahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(6)Ba4In2 octahedra, corners with three equivalent O(4)BaIn3 tetrahedra, corners with four equivalent O(3)BaIn3 tetrahedra, and  an edgeedge with one O(3)BaIn3 tetrahedra. The corner-sharing octahedral tilt angles range from 28-66°. In the fourth O site, O(4) is bonded to one Ba(1), one In(1), and two equivalent In(2) atoms to form distorted OBaIn3 tetrahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(6)Ba4In2 octahedra, corners with two equivalent O(4)BaIn3 tetrahedra, corners with three equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(5)In4 trigonal pyramids, and  an edgeedge with one O(5)In4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-70°. In the fifth O site, O(5) is bonded to four equivalent In(2) atoms to form distorted OIn4 trigonal pyramids that share corners with four equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(4)BaIn3 tetrahedra, and edges with two equivalent O(5)In4 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent In(3) atoms to form distorted OBa4In2 octahedra that share corners with two equivalent O(1)Ba4In2 octahedra, corners with two equivalent O(3)BaIn3 tetrahedra, corners with two equivalent O(4)BaIn3 tetrahedra, edges with two equivalent O(1)Ba4In2 octahedra, faces with two equivalent O(1)Ba4In2 octahedra, and faces with two equivalent O(6)Ba4In2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one In(1), and one In(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4In6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.627
_cell_length_b   12.627
_cell_length_c   12.627
_cell_angle_alpha   153.063
_cell_angle_beta   123.030
_cell_angle_gamma   64.114
_symmetry_Int_Tables_number   1
_cell_volume   758.120
_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  0.028  0.162  0.877  1.0
  Ba  Ba1  1  0.715  0.349  0.377  1.0
  Ba  Ba2  1  0.213  0.340  0.879  1.0
  Ba  Ba3  1  0.285  0.662  0.634  1.0
  Ba  Ba4  1  0.972  0.849  0.134  1.0
  Ba  Ba5  1  0.461  0.840  0.628  1.0
  Ba  Ba6  1  0.787  0.666  0.128  1.0
  Ba  Ba7  1  0.539  0.166  0.379  1.0
  In  In8  1  0.345  0.962  0.400  1.0
  In  In9  1  0.088  0.519  0.683  1.0
  In  In10  1  0.562  0.462  0.117  1.0
  In  In11  1  0.374  0.252  0.127  1.0
  In  In12  1  0.626  0.753  0.879  1.0
  In  In13  1  0.655  0.055  0.617  1.0
  In  In14  1  0.912  0.595  0.431  1.0
  In  In15  1  0.438  0.555  0.900  1.0
  In  In16  1  0.163  0.095  0.183  1.0
  In  In17  1  0.837  0.019  0.931  1.0
  In  In18  1  0.126  0.752  0.379  1.0
  In  In19  1  0.874  0.253  0.627  1.0
  O  O20  1  0.496  1.000  0.002  1.0
  O  O21  1  0.992  0.365  0.623  1.0
  O  O22  1  0.466  0.925  0.300  1.0
  O  O23  1  0.252  0.429  0.613  1.0
  O  O24  1  0.748  0.361  0.178  1.0
  O  O25  1  0.375  0.333  0.800  1.0
  O  O26  1  0.008  0.631  0.374  1.0
  O  O27  1  0.000  0.283  0.283  1.0
  O  O28  1  0.000  0.783  0.783  1.0
  O  O29  1  0.534  0.833  0.458  1.0
  O  O30  1  0.504  0.506  0.503  1.0
  O  O31  1  0.241  1.000  0.754  1.0
  O  O32  1  0.759  0.513  0.759  1.0
  O  O33  1  0.477  0.338  0.102  1.0
  O  O34  1  0.997  0.500  0.003  1.0
  O  O35  1  0.755  0.013  0.254  1.0
  O  O36  1  0.003  0.006  0.502  1.0
  O  O37  1  0.258  0.131  0.123  1.0
  O  O38  1  0.236  0.838  0.361  1.0
  O  O39  1  0.183  0.861  0.113  1.0
  O  O40  1  0.764  0.125  0.602  1.0
  O  O41  1  0.523  0.625  0.861  1.0
  O  O42  1  0.245  0.500  0.259  1.0
  O  O43  1  0.625  0.425  0.958  1.0
  O  O44  1  0.817  0.929  0.678  1.0
  O  O45  1  0.742  0.865  0.874  1.0
[/CIF]
.