The material structure described by BaAl4(SbO6)2 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Al(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. Sb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Al(1)O6 octahedra and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are four inequivalent O sites. In the first O site, O(2) is bonded to one Ba(1), two equivalent Al(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBaAl2Sb trigonal pyramids. In the second O site, O(3) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Sb(1) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Sb(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Al(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaAl4(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   8.251
_cell_angle_alpha   106.449
_cell_angle_beta   106.449
_cell_angle_gamma   115.702
_symmetry_Int_Tables_number   1
_cell_volume   428.489
_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  0.215  0.215  0.000  1.0
  Ba  Ba1  1  0.785  0.785  0.000  1.0
  Al  Al2  1  0.985  0.501  0.816  1.0
  Al  Al3  1  0.685  0.169  0.184  1.0
  Al  Al4  1  0.169  0.985  0.484  1.0
  Al  Al5  1  0.501  0.685  0.516  1.0
  Al  Al6  1  0.015  0.499  0.184  1.0
  Al  Al7  1  0.315  0.831  0.816  1.0
  Al  Al8  1  0.831  0.015  0.516  1.0
  Al  Al9  1  0.499  0.315  0.484  1.0
  Sb  Sb10  1  0.650  0.162  0.812  1.0
  Sb  Sb11  1  0.350  0.838  0.188  1.0
  Sb  Sb12  1  0.838  0.650  0.487  1.0
  Sb  Sb13  1  0.162  0.350  0.513  1.0
  O  O14  1  0.851  0.200  0.050  1.0
  O  O15  1  0.149  0.800  0.950  1.0
  O  O16  1  0.800  0.851  0.651  1.0
  O  O17  1  0.200  0.149  0.349  1.0
  O  O18  1  0.175  0.535  0.046  1.0
  O  O19  1  0.488  0.129  0.954  1.0
  O  O20  1  0.129  0.175  0.640  1.0
  O  O21  1  0.535  0.488  0.360  1.0
  O  O22  1  0.825  0.465  0.954  1.0
  O  O23  1  0.512  0.871  0.046  1.0
  O  O24  1  0.871  0.825  0.360  1.0
  O  O25  1  0.465  0.512  0.640  1.0
  O  O26  1  0.452  0.158  0.610  1.0
  O  O27  1  0.548  0.842  0.390  1.0
  O  O28  1  0.842  0.452  0.295  1.0
  O  O29  1  0.158  0.548  0.705  1.0
  O  O30  1  0.787  0.494  0.631  1.0
  O  O31  1  0.863  0.156  0.369  1.0
  O  O32  1  0.156  0.787  0.293  1.0
  O  O33  1  0.494  0.863  0.707  1.0
  O  O34  1  0.213  0.506  0.369  1.0
  O  O35  1  0.137  0.844  0.631  1.0
  O  O36  1  0.844  0.213  0.707  1.0
  O  O37  1  0.506  0.137  0.293  1.0
[/CIF]
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The material structure described by BaAl4(SbO6)2 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Al(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. Sb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Al(1)O6 octahedra and edges with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are four inequivalent O sites. In the first O site, O(2) is bonded to one Ba(1), two equivalent Al(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBaAl2Sb trigonal pyramids. In the second O site, O(3) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Sb(1) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one Sb(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Al(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaAl4(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   8.251
_cell_angle_alpha   106.449
_cell_angle_beta   106.449
_cell_angle_gamma   115.702
_symmetry_Int_Tables_number   1
_cell_volume   428.489
_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  0.215  0.215  0.000  1.0
  Ba  Ba1  1  0.785  0.785  0.000  1.0
  Al  Al2  1  0.985  0.501  0.816  1.0
  Al  Al3  1  0.685  0.169  0.184  1.0
  Al  Al4  1  0.169  0.985  0.484  1.0
  Al  Al5  1  0.501  0.685  0.516  1.0
  Al  Al6  1  0.015  0.499  0.184  1.0
  Al  Al7  1  0.315  0.831  0.816  1.0
  Al  Al8  1  0.831  0.015  0.516  1.0
  Al  Al9  1  0.499  0.315  0.484  1.0
  Sb  Sb10  1  0.650  0.162  0.812  1.0
  Sb  Sb11  1  0.350  0.838  0.188  1.0
  Sb  Sb12  1  0.838  0.650  0.487  1.0
  Sb  Sb13  1  0.162  0.350  0.513  1.0
  O  O14  1  0.851  0.200  0.050  1.0
  O  O15  1  0.149  0.800  0.950  1.0
  O  O16  1  0.800  0.851  0.651  1.0
  O  O17  1  0.200  0.149  0.349  1.0
  O  O18  1  0.175  0.535  0.046  1.0
  O  O19  1  0.488  0.129  0.954  1.0
  O  O20  1  0.129  0.175  0.640  1.0
  O  O21  1  0.535  0.488  0.360  1.0
  O  O22  1  0.825  0.465  0.954  1.0
  O  O23  1  0.512  0.871  0.046  1.0
  O  O24  1  0.871  0.825  0.360  1.0
  O  O25  1  0.465  0.512  0.640  1.0
  O  O26  1  0.452  0.158  0.610  1.0
  O  O27  1  0.548  0.842  0.390  1.0
  O  O28  1  0.842  0.452  0.295  1.0
  O  O29  1  0.158  0.548  0.705  1.0
  O  O30  1  0.787  0.494  0.631  1.0
  O  O31  1  0.863  0.156  0.369  1.0
  O  O32  1  0.156  0.787  0.293  1.0
  O  O33  1  0.494  0.863  0.707  1.0
  O  O34  1  0.213  0.506  0.369  1.0
  O  O35  1  0.137  0.844  0.631  1.0
  O  O36  1  0.844  0.213  0.707  1.0
  O  O37  1  0.506  0.137  0.293  1.0
[/CIF]
.