The crystal structure described by Sr2Sb2O7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent Sr(2)O8 hexagonal bipyramids, corners with two equivalent Sb(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with four equivalent Sr(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-43°. In the second Sb site, Sb(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sr(2)O8 hexagonal bipyramids, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Sr(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to one Sr(2), two equivalent Sr(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OSr3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.478
_cell_angle_alpha   119.969
_cell_angle_beta   117.852
_cell_angle_gamma   91.907
_symmetry_Int_Tables_number   1
_cell_volume   300.306
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  1.000  0.000  1.0
  Sr  Sr2  1  0.500  0.500  1.000  1.0
  Sr  Sr3  1  1.000  0.000  0.000  1.0
  Sb  Sb4  1  0.000  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.950  0.584  0.772  1.0
  O  O9  1  0.050  0.822  0.633  1.0
  O  O10  1  0.688  0.916  0.367  1.0
  O  O11  1  0.312  0.678  0.228  1.0
  O  O12  1  0.050  0.416  0.228  1.0
  O  O13  1  0.950  0.178  0.367  1.0
  O  O14  1  0.312  0.084  0.633  1.0
  O  O15  1  0.688  0.322  0.772  1.0
  O  O16  1  0.097  0.250  0.847  1.0
  O  O17  1  0.903  0.750  0.153  1.0
  O  O18  1  0.691  0.409  0.282  1.0
  O  O19  1  0.309  0.591  0.718  1.0
  O  O20  1  0.373  0.091  0.282  1.0
  O  O21  1  0.627  0.909  0.718  1.0
[/CIF]
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The crystal structure described by Sr2Sb2O7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent Sr(2)O8 hexagonal bipyramids, corners with two equivalent Sb(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and edges with four equivalent Sr(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-43°. In the second Sb site, Sb(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with two equivalent Sr(2)O8 hexagonal bipyramids, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Sr(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(2) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded to one Sr(2), two equivalent Sr(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OSr3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.478
_cell_angle_alpha   119.969
_cell_angle_beta   117.852
_cell_angle_gamma   91.907
_symmetry_Int_Tables_number   1
_cell_volume   300.306
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  1.000  0.000  1.0
  Sr  Sr2  1  0.500  0.500  1.000  1.0
  Sr  Sr3  1  1.000  0.000  0.000  1.0
  Sb  Sb4  1  0.000  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.950  0.584  0.772  1.0
  O  O9  1  0.050  0.822  0.633  1.0
  O  O10  1  0.688  0.916  0.367  1.0
  O  O11  1  0.312  0.678  0.228  1.0
  O  O12  1  0.050  0.416  0.228  1.0
  O  O13  1  0.950  0.178  0.367  1.0
  O  O14  1  0.312  0.084  0.633  1.0
  O  O15  1  0.688  0.322  0.772  1.0
  O  O16  1  0.097  0.250  0.847  1.0
  O  O17  1  0.903  0.750  0.153  1.0
  O  O18  1  0.691  0.409  0.282  1.0
  O  O19  1  0.309  0.591  0.718  1.0
  O  O20  1  0.373  0.091  0.282  1.0
  O  O21  1  0.627  0.909  0.718  1.0
[/CIF]
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