The compound described by SrGaSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent Sn(1) atoms to form SrSn6 octahedra that share corners with six equivalent Ga(1)Sr3Sn3 octahedra, edges with six equivalent Sr(1)Sn6 octahedra, and edges with six equivalent Ga(1)Sr3Sn3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Sn(1) atoms. Ga(1) is bonded to three equivalent Sr(2) and three equivalent Sn(1) atoms to form distorted GaSr3Sn3 octahedra that share corners with three equivalent Sr(1)Sn6 octahedra, corners with six equivalent Ga(1)Sr3Sn3 octahedra, edges with three equivalent Sr(1)Sn6 octahedra, edges with six equivalent Ga(1)Sr3Sn3 octahedra, and  a faceface with one Ga(1)Sr3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_SrGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.566
_cell_length_b   4.566
_cell_length_c   18.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   342.260
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.250  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.000  0.750  1.0
  Ga  Ga4  1  0.667  0.333  0.839  1.0
  Ga  Ga5  1  0.333  0.667  0.339  1.0
  Ga  Ga6  1  0.667  0.333  0.661  1.0
  Ga  Ga7  1  0.333  0.667  0.161  1.0
  Sn  Sn8  1  0.333  0.667  0.616  1.0
  Sn  Sn9  1  0.667  0.333  0.116  1.0
  Sn  Sn10  1  0.667  0.333  0.384  1.0
  Sn  Sn11  1  0.333  0.667  0.884  1.0
[/CIF]
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The compound described by SrGaSn crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent Sn(1) atoms to form SrSn6 octahedra that share corners with six equivalent Ga(1)Sr3Sn3 octahedra, edges with six equivalent Sr(1)Sn6 octahedra, and edges with six equivalent Ga(1)Sr3Sn3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Ga(1) and six equivalent Sn(1) atoms. Ga(1) is bonded to three equivalent Sr(2) and three equivalent Sn(1) atoms to form distorted GaSr3Sn3 octahedra that share corners with three equivalent Sr(1)Sn6 octahedra, corners with six equivalent Ga(1)Sr3Sn3 octahedra, edges with three equivalent Sr(1)Sn6 octahedra, edges with six equivalent Ga(1)Sr3Sn3 octahedra, and  a faceface with one Ga(1)Sr3Sn3 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Sr(1), three equivalent Sr(2), and three equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_SrGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.566
_cell_length_b   4.566
_cell_length_c   18.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   342.260
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.250  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.000  0.750  1.0
  Ga  Ga4  1  0.667  0.333  0.839  1.0
  Ga  Ga5  1  0.333  0.667  0.339  1.0
  Ga  Ga6  1  0.667  0.333  0.661  1.0
  Ga  Ga7  1  0.333  0.667  0.161  1.0
  Sn  Sn8  1  0.333  0.667  0.616  1.0
  Sn  Sn9  1  0.667  0.333  0.116  1.0
  Sn  Sn10  1  0.667  0.333  0.384  1.0
  Sn  Sn11  1  0.333  0.667  0.884  1.0
[/CIF]
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