The crystal structure described by Sr2LaGaO5 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(1), and one Ga(1) atom to form distorted OSr3La2Ga octahedra that share corners with four equivalent O(1)Sr3La2Ga octahedra, corners with four equivalent O(3)Sr4La2 octahedra, corners with six equivalent O(2)Sr4LaGa octahedra, edges with two equivalent O(1)Sr3La2Ga octahedra, edges with six equivalent O(2)Sr4LaGa octahedra, faces with two equivalent O(1)Sr3La2Ga octahedra, and faces with two equivalent O(3)Sr4La2 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(1), and one Ga(1) atom to form distorted OSr4LaGa octahedra that share corners with four equivalent O(3)Sr4La2 octahedra, corners with four equivalent O(2)Sr4LaGa octahedra, corners with six equivalent O(1)Sr3La2Ga octahedra, edges with two equivalent O(2)Sr4LaGa octahedra, edges with six equivalent O(1)Sr3La2Ga octahedra, faces with two equivalent O(3)Sr4La2 octahedra, and faces with two equivalent O(2)Sr4LaGa octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent La(1) atoms to form OSr4La2 octahedra that share corners with six equivalent O(3)Sr4La2 octahedra, corners with eight equivalent O(1)Sr3La2Ga octahedra, corners with eight equivalent O(2)Sr4LaGa octahedra, faces with four equivalent O(1)Sr3La2Ga octahedra, and faces with four equivalent O(2)Sr4LaGa octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LaGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   7.525
_cell_angle_alpha   62.594
_cell_angle_beta   62.594
_cell_angle_gamma   89.594
_symmetry_Int_Tables_number   1
_cell_volume   271.000
_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  0.250  0.250  0.500  1.0
  Sr  Sr1  1  0.750  0.750  0.500  1.0
  Sr  Sr2  1  0.824  0.676  0.000  1.0
  Sr  Sr3  1  0.176  0.324  0.000  1.0
  La  La4  1  0.681  0.181  0.000  1.0
  La  La5  1  0.319  0.819  0.000  1.0
  Ga  Ga6  1  0.752  0.252  0.497  1.0
  Ga  Ga7  1  0.248  0.748  0.503  1.0
  O  O8  1  0.214  0.998  0.288  1.0
  O  O9  1  0.498  0.714  0.288  1.0
  O  O10  1  0.003  0.503  0.290  1.0
  O  O11  1  0.707  0.207  0.290  1.0
  O  O12  1  0.786  0.002  0.712  1.0
  O  O13  1  0.502  0.286  0.712  1.0
  O  O14  1  0.997  0.497  0.710  1.0
  O  O15  1  0.293  0.793  0.710  1.0
  O  O16  1  0.500  0.500  0.000  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sr2LaGaO5 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(1), and one Ga(1) atom to form distorted OSr3La2Ga octahedra that share corners with four equivalent O(1)Sr3La2Ga octahedra, corners with four equivalent O(3)Sr4La2 octahedra, corners with six equivalent O(2)Sr4LaGa octahedra, edges with two equivalent O(1)Sr3La2Ga octahedra, edges with six equivalent O(2)Sr4LaGa octahedra, faces with two equivalent O(1)Sr3La2Ga octahedra, and faces with two equivalent O(3)Sr4La2 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(1), and one Ga(1) atom to form distorted OSr4LaGa octahedra that share corners with four equivalent O(3)Sr4La2 octahedra, corners with four equivalent O(2)Sr4LaGa octahedra, corners with six equivalent O(1)Sr3La2Ga octahedra, edges with two equivalent O(2)Sr4LaGa octahedra, edges with six equivalent O(1)Sr3La2Ga octahedra, faces with two equivalent O(3)Sr4La2 octahedra, and faces with two equivalent O(2)Sr4LaGa octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent La(1) atoms to form OSr4La2 octahedra that share corners with six equivalent O(3)Sr4La2 octahedra, corners with eight equivalent O(1)Sr3La2Ga octahedra, corners with eight equivalent O(2)Sr4LaGa octahedra, faces with four equivalent O(1)Sr3La2Ga octahedra, and faces with four equivalent O(2)Sr4LaGa octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LaGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   7.525
_cell_angle_alpha   62.594
_cell_angle_beta   62.594
_cell_angle_gamma   89.594
_symmetry_Int_Tables_number   1
_cell_volume   271.000
_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  0.250  0.250  0.500  1.0
  Sr  Sr1  1  0.750  0.750  0.500  1.0
  Sr  Sr2  1  0.824  0.676  0.000  1.0
  Sr  Sr3  1  0.176  0.324  0.000  1.0
  La  La4  1  0.681  0.181  0.000  1.0
  La  La5  1  0.319  0.819  0.000  1.0
  Ga  Ga6  1  0.752  0.252  0.497  1.0
  Ga  Ga7  1  0.248  0.748  0.503  1.0
  O  O8  1  0.214  0.998  0.288  1.0
  O  O9  1  0.498  0.714  0.288  1.0
  O  O10  1  0.003  0.503  0.290  1.0
  O  O11  1  0.707  0.207  0.290  1.0
  O  O12  1  0.786  0.002  0.712  1.0
  O  O13  1  0.502  0.286  0.712  1.0
  O  O14  1  0.997  0.497  0.710  1.0
  O  O15  1  0.293  0.793  0.710  1.0
  O  O16  1  0.500  0.500  0.000  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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