The compound described by Sr2ScGaO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Sc(1) atoms to form distorted OSr4Sc2 octahedra that share corners with two equivalent O(1)Sr4Sc2 octahedra, corners with four equivalent O(3)Sr2Ga2 tetrahedra, edges with two equivalent O(1)Sr4Sc2 octahedra, and faces with four equivalent O(1)Sr4Sc2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sc(1), and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight equivalent O(1)Sr4Sc2 octahedra and corners with two equivalent O(3)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 14-88°. is represented by the CIF file [CIF]
data_Sr2ScGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.981
_cell_length_c   8.692
_cell_angle_alpha   110.123
_cell_angle_beta   109.346
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.015
_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  0.115  0.632  0.223  1.0
  Sr  Sr1  1  0.892  0.368  0.777  1.0
  Sr  Sr2  1  0.392  0.909  0.777  1.0
  Sr  Sr3  1  0.615  0.091  0.223  1.0
  Sc  Sc4  1  0.499  0.500  0.000  1.0
  Sc  Sc5  1  0.999  0.000  0.000  1.0
  Ga  Ga6  1  0.282  0.322  0.500  1.0
  Ga  Ga7  1  0.782  0.678  0.500  1.0
  O  O8  1  0.239  0.741  0.976  1.0
  O  O9  1  0.263  0.259  0.024  1.0
  O  O10  1  0.763  0.265  0.024  1.0
  O  O11  1  0.739  0.735  0.976  1.0
  O  O12  1  0.625  0.711  0.288  1.0
  O  O13  1  0.337  0.289  0.712  1.0
  O  O14  1  0.837  0.923  0.712  1.0
  O  O15  1  0.125  0.077  0.288  1.0
  O  O16  1  0.105  0.593  0.500  1.0
  O  O17  1  0.605  0.407  0.500  1.0
[/CIF]
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The compound described by Sr2ScGaO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 10°. Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Sc(1) atoms to form distorted OSr4Sc2 octahedra that share corners with two equivalent O(1)Sr4Sc2 octahedra, corners with four equivalent O(3)Sr2Ga2 tetrahedra, edges with two equivalent O(1)Sr4Sc2 octahedra, and faces with four equivalent O(1)Sr4Sc2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sc(1), and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight equivalent O(1)Sr4Sc2 octahedra and corners with two equivalent O(3)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 14-88°. is represented by the CIF file [CIF]
data_Sr2ScGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.981
_cell_length_c   8.692
_cell_angle_alpha   110.123
_cell_angle_beta   109.346
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.015
_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  0.115  0.632  0.223  1.0
  Sr  Sr1  1  0.892  0.368  0.777  1.0
  Sr  Sr2  1  0.392  0.909  0.777  1.0
  Sr  Sr3  1  0.615  0.091  0.223  1.0
  Sc  Sc4  1  0.499  0.500  0.000  1.0
  Sc  Sc5  1  0.999  0.000  0.000  1.0
  Ga  Ga6  1  0.282  0.322  0.500  1.0
  Ga  Ga7  1  0.782  0.678  0.500  1.0
  O  O8  1  0.239  0.741  0.976  1.0
  O  O9  1  0.263  0.259  0.024  1.0
  O  O10  1  0.763  0.265  0.024  1.0
  O  O11  1  0.739  0.735  0.976  1.0
  O  O12  1  0.625  0.711  0.288  1.0
  O  O13  1  0.337  0.289  0.712  1.0
  O  O14  1  0.837  0.923  0.712  1.0
  O  O15  1  0.125  0.077  0.288  1.0
  O  O16  1  0.105  0.593  0.500  1.0
  O  O17  1  0.605  0.407  0.500  1.0
[/CIF]
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