The structure described by Sr(GaAs)2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent As(2) and four equivalent As(4) atoms to form SrAs6 octahedra that share corners with two equivalent Ga(2)GaAs3 tetrahedra, corners with four equivalent Ga(4)GaAs3 tetrahedra, edges with two equivalent Sr(1)As6 octahedra, edges with four equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(4)GaAs3 tetrahedra. In the second Sr site, Sr(2) is bonded to two equivalent As(1) and four equivalent As(3) atoms to form SrAs6 octahedra that share corners with two equivalent Ga(4)GaAs3 tetrahedra, corners with four equivalent Ga(2)GaAs3 tetrahedra, edges with two equivalent Sr(2)As6 octahedra, edges with four equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(2)GaAs3 tetrahedra. In the third Sr site, Sr(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form distorted SrAs6 octahedra that share corners with four equivalent Ga(4)GaAs3 tetrahedra, edges with two equivalent Sr(1)As6 octahedra, edges with two equivalent Sr(2)As6 octahedra, edges with two equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(2)GaAs3 tetrahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to one Ga(3), one As(3), and two equivalent As(1) atoms. In the second Ga site, Ga(2) is bonded to one Ga(2), one As(2), and two equivalent As(3) atoms to form distorted GaGaAs3 tetrahedra that share  a cornercorner with one Sr(1)As6 octahedra,  a cornercorner with one As(2)Sr3Ga3 octahedra, corners with two equivalent Sr(2)As6 octahedra, corners with two equivalent As(3)Sr3Ga3 octahedra, corners with two equivalent Ga(2)GaAs3 tetrahedra,  an edgeedge with one Sr(2)As6 octahedra, and edges with two equivalent Sr(3)As6 octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the third Ga site, Ga(3) is bonded in a 4-coordinate geometry to one Ga(1), one As(4), and two equivalent As(2) atoms. In the fourth Ga site, Ga(4) is bonded to one Ga(4), one As(1), and two equivalent As(4) atoms to form distorted GaGaAs3 tetrahedra that share  a cornercorner with one Sr(2)As6 octahedra,  a cornercorner with one As(1)Sr3Ga3 octahedra, corners with two equivalent Sr(1)As6 octahedra, corners with two equivalent As(4)Sr3Ga3 octahedra, corners with four equivalent Sr(3)As6 octahedra, corners with two equivalent Ga(4)GaAs3 tetrahedra, and  an edgeedge with one Sr(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 3-84°. There are four inequivalent As sites. In the first As site, As(1) is bonded to one Sr(2), two equivalent Sr(3), one Ga(4), and two equivalent Ga(1) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(1)Sr3Ga3 octahedra, corners with two equivalent As(2)Sr3Ga3 octahedra, corners with four equivalent As(4)Sr3Ga3 octahedra,  a cornercorner with one Ga(4)GaAs3 tetrahedra,  an edgeedge with one As(2)Sr3Ga3 octahedra, edges with two equivalent As(1)Sr3Ga3 octahedra, and edges with four equivalent As(3)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-80°. In the second As site, As(2) is bonded to one Sr(1), two equivalent Sr(3), one Ga(2), and two equivalent Ga(3) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(2)Sr3Ga3 octahedra, corners with two equivalent As(1)Sr3Ga3 octahedra,  a cornercorner with one Ga(2)GaAs3 tetrahedra,  an edgeedge with one As(1)Sr3Ga3 octahedra, edges with two equivalent As(2)Sr3Ga3 octahedra, edges with two equivalent As(3)Sr3Ga3 octahedra, and edges with four equivalent As(4)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third As site, As(3) is bonded to one Sr(3), two equivalent Sr(2), one Ga(1), and two equivalent Ga(2) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(4)Sr3Ga3 octahedra, corners with two equivalent As(3)Sr3Ga3 octahedra, corners with two equivalent Ga(2)GaAs3 tetrahedra, edges with two equivalent As(2)Sr3Ga3 octahedra, edges with three equivalent As(3)Sr3Ga3 octahedra, and edges with four equivalent As(1)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth As site, As(4) is bonded to one Sr(3), two equivalent Sr(1), one Ga(3), and two equivalent Ga(4) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(3)Sr3Ga3 octahedra, corners with two equivalent As(4)Sr3Ga3 octahedra, corners with four equivalent As(1)Sr3Ga3 octahedra, corners with two equivalent Ga(4)GaAs3 tetrahedra, edges with three equivalent As(4)Sr3Ga3 octahedra, and edges with four equivalent As(2)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-80°. is represented by the CIF card [CIF]
data_Sr(GaAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.622
_cell_length_b   4.061
_cell_length_c   12.568
_cell_angle_alpha   90.000
_cell_angle_beta   95.937
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.533
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Sr  Sr1  1  1.000  0.000  0.500  1.0
  Sr  Sr2  1  0.202  0.500  0.775  1.0
  Sr  Sr3  1  0.798  0.500  0.225  1.0
  Ga  Ga4  1  0.805  0.500  0.676  1.0
  Ga  Ga5  1  0.400  0.000  0.553  1.0
  Ga  Ga6  1  0.195  0.500  0.324  1.0
  Ga  Ga7  1  0.608  0.500  0.780  1.0
  Ga  Ga8  1  0.392  0.500  0.220  1.0
  Ga  Ga9  1  0.892  0.000  0.937  1.0
  Ga  Ga10  1  0.108  0.000  0.063  1.0
  Ga  Ga11  1  0.600  0.000  0.447  1.0
  As  As12  1  0.948  0.000  0.743  1.0
  As  As13  1  0.451  0.000  0.754  1.0
  As  As14  1  0.052  0.000  0.257  1.0
  As  As15  1  0.549  0.000  0.246  1.0
  As  As16  1  0.756  0.500  0.477  1.0
  As  As17  1  0.741  0.500  0.966  1.0
  As  As18  1  0.259  0.500  0.034  1.0
  As  As19  1  0.244  0.500  0.523  1.0
[/CIF]
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The structure described by Sr(GaAs)2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent As(2) and four equivalent As(4) atoms to form SrAs6 octahedra that share corners with two equivalent Ga(2)GaAs3 tetrahedra, corners with four equivalent Ga(4)GaAs3 tetrahedra, edges with two equivalent Sr(1)As6 octahedra, edges with four equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(4)GaAs3 tetrahedra. In the second Sr site, Sr(2) is bonded to two equivalent As(1) and four equivalent As(3) atoms to form SrAs6 octahedra that share corners with two equivalent Ga(4)GaAs3 tetrahedra, corners with four equivalent Ga(2)GaAs3 tetrahedra, edges with two equivalent Sr(2)As6 octahedra, edges with four equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(2)GaAs3 tetrahedra. In the third Sr site, Sr(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form distorted SrAs6 octahedra that share corners with four equivalent Ga(4)GaAs3 tetrahedra, edges with two equivalent Sr(1)As6 octahedra, edges with two equivalent Sr(2)As6 octahedra, edges with two equivalent Sr(3)As6 octahedra, and edges with two equivalent Ga(2)GaAs3 tetrahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to one Ga(3), one As(3), and two equivalent As(1) atoms. In the second Ga site, Ga(2) is bonded to one Ga(2), one As(2), and two equivalent As(3) atoms to form distorted GaGaAs3 tetrahedra that share  a cornercorner with one Sr(1)As6 octahedra,  a cornercorner with one As(2)Sr3Ga3 octahedra, corners with two equivalent Sr(2)As6 octahedra, corners with two equivalent As(3)Sr3Ga3 octahedra, corners with two equivalent Ga(2)GaAs3 tetrahedra,  an edgeedge with one Sr(2)As6 octahedra, and edges with two equivalent Sr(3)As6 octahedra. The corner-sharing octahedral tilt angles range from 2-66°. In the third Ga site, Ga(3) is bonded in a 4-coordinate geometry to one Ga(1), one As(4), and two equivalent As(2) atoms. In the fourth Ga site, Ga(4) is bonded to one Ga(4), one As(1), and two equivalent As(4) atoms to form distorted GaGaAs3 tetrahedra that share  a cornercorner with one Sr(2)As6 octahedra,  a cornercorner with one As(1)Sr3Ga3 octahedra, corners with two equivalent Sr(1)As6 octahedra, corners with two equivalent As(4)Sr3Ga3 octahedra, corners with four equivalent Sr(3)As6 octahedra, corners with two equivalent Ga(4)GaAs3 tetrahedra, and  an edgeedge with one Sr(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 3-84°. There are four inequivalent As sites. In the first As site, As(1) is bonded to one Sr(2), two equivalent Sr(3), one Ga(4), and two equivalent Ga(1) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(1)Sr3Ga3 octahedra, corners with two equivalent As(2)Sr3Ga3 octahedra, corners with four equivalent As(4)Sr3Ga3 octahedra,  a cornercorner with one Ga(4)GaAs3 tetrahedra,  an edgeedge with one As(2)Sr3Ga3 octahedra, edges with two equivalent As(1)Sr3Ga3 octahedra, and edges with four equivalent As(3)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-80°. In the second As site, As(2) is bonded to one Sr(1), two equivalent Sr(3), one Ga(2), and two equivalent Ga(3) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(2)Sr3Ga3 octahedra, corners with two equivalent As(1)Sr3Ga3 octahedra,  a cornercorner with one Ga(2)GaAs3 tetrahedra,  an edgeedge with one As(1)Sr3Ga3 octahedra, edges with two equivalent As(2)Sr3Ga3 octahedra, edges with two equivalent As(3)Sr3Ga3 octahedra, and edges with four equivalent As(4)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third As site, As(3) is bonded to one Sr(3), two equivalent Sr(2), one Ga(1), and two equivalent Ga(2) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(4)Sr3Ga3 octahedra, corners with two equivalent As(3)Sr3Ga3 octahedra, corners with two equivalent Ga(2)GaAs3 tetrahedra, edges with two equivalent As(2)Sr3Ga3 octahedra, edges with three equivalent As(3)Sr3Ga3 octahedra, and edges with four equivalent As(1)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth As site, As(4) is bonded to one Sr(3), two equivalent Sr(1), one Ga(3), and two equivalent Ga(4) atoms to form AsSr3Ga3 octahedra that share  a cornercorner with one As(3)Sr3Ga3 octahedra, corners with two equivalent As(4)Sr3Ga3 octahedra, corners with four equivalent As(1)Sr3Ga3 octahedra, corners with two equivalent Ga(4)GaAs3 tetrahedra, edges with three equivalent As(4)Sr3Ga3 octahedra, and edges with four equivalent As(2)Sr3Ga3 octahedra. The corner-sharing octahedral tilt angles range from 0-80°. is represented by the CIF card [CIF]
data_Sr(GaAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.622
_cell_length_b   4.061
_cell_length_c   12.568
_cell_angle_alpha   90.000
_cell_angle_beta   95.937
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.533
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Sr  Sr1  1  1.000  0.000  0.500  1.0
  Sr  Sr2  1  0.202  0.500  0.775  1.0
  Sr  Sr3  1  0.798  0.500  0.225  1.0
  Ga  Ga4  1  0.805  0.500  0.676  1.0
  Ga  Ga5  1  0.400  0.000  0.553  1.0
  Ga  Ga6  1  0.195  0.500  0.324  1.0
  Ga  Ga7  1  0.608  0.500  0.780  1.0
  Ga  Ga8  1  0.392  0.500  0.220  1.0
  Ga  Ga9  1  0.892  0.000  0.937  1.0
  Ga  Ga10  1  0.108  0.000  0.063  1.0
  Ga  Ga11  1  0.600  0.000  0.447  1.0
  As  As12  1  0.948  0.000  0.743  1.0
  As  As13  1  0.451  0.000  0.754  1.0
  As  As14  1  0.052  0.000  0.257  1.0
  As  As15  1  0.549  0.000  0.246  1.0
  As  As16  1  0.756  0.500  0.477  1.0
  As  As17  1  0.741  0.500  0.966  1.0
  As  As18  1  0.259  0.500  0.034  1.0
  As  As19  1  0.244  0.500  0.523  1.0
[/CIF]
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