The material structure described by Ba2Sb2O5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted BaO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O4 trigonal pyramids, edges with two equivalent Ba(1)O7 pentagonal bipyramids, and  an edgeedge with one Sb(1)O4 trigonal pyramid. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted SbO4 trigonal pyramids that share corners with two equivalent Ba(1)O7 pentagonal bipyramids, corners with two equivalent Sb(1)O4 trigonal pyramids, and  an edgeedge with one Ba(1)O7 pentagonal bipyramid. In the second Sb site, Sb(2) is bonded in an L-shaped geometry to two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa3Sb tetrahedra. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OBa3Sb tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Ba2Sb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   6.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.441
_symmetry_Int_Tables_number   1
_cell_volume   192.877
_cell_formula_units_Z   1
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  0.324  0.676  0.000  1.0
  Ba  Ba1  1  0.678  0.322  0.500  1.0
  Sb  Sb2  1  0.070  0.930  0.000  1.0
  Sb  Sb3  1  0.931  0.069  0.500  1.0
  O  O4  1  0.157  0.843  0.225  1.0
  O  O5  1  0.841  0.159  0.278  1.0
  O  O6  1  0.157  0.843  0.775  1.0
  O  O7  1  0.841  0.159  0.722  1.0
  O  O8  1  0.524  0.476  0.000  1.0
[/CIF]
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The material structure described by Ba2Sb2O5 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted BaO7 pentagonal bipyramids that share corners with two equivalent Sb(1)O4 trigonal pyramids, edges with two equivalent Ba(1)O7 pentagonal bipyramids, and  an edgeedge with one Sb(1)O4 trigonal pyramid. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted SbO4 trigonal pyramids that share corners with two equivalent Ba(1)O7 pentagonal bipyramids, corners with two equivalent Sb(1)O4 trigonal pyramids, and  an edgeedge with one Ba(1)O7 pentagonal bipyramid. In the second Sb site, Sb(2) is bonded in an L-shaped geometry to two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa3Sb tetrahedra. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OBa3Sb tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Ba2Sb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   6.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.441
_symmetry_Int_Tables_number   1
_cell_volume   192.877
_cell_formula_units_Z   1
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  0.324  0.676  0.000  1.0
  Ba  Ba1  1  0.678  0.322  0.500  1.0
  Sb  Sb2  1  0.070  0.930  0.000  1.0
  Sb  Sb3  1  0.931  0.069  0.500  1.0
  O  O4  1  0.157  0.843  0.225  1.0
  O  O5  1  0.841  0.159  0.278  1.0
  O  O6  1  0.157  0.843  0.775  1.0
  O  O7  1  0.841  0.159  0.722  1.0
  O  O8  1  0.524  0.476  0.000  1.0
[/CIF]
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