The material structure described by Sr2Mg3In5 crystallizes in the tetragonal P-4m2 space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1,3) is bonded to four equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to four equivalent Sr(1), two equivalent Mg(2), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1); four equivalent Mg(1,3); and one In(1) atom. In the third In site, In(3) is bonded in a 8-coordinate geometry to four equivalent Mg(2) and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   13.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.166
_cell_formula_units_Z   1
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  0.751  1.0
  Sr  Sr1  1  0.000  0.500  0.249  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  In  In5  1  0.500  0.000  0.143  1.0
  In  In6  1  0.000  0.500  0.640  1.0
  In  In7  1  0.000  0.500  0.857  1.0
  In  In8  1  0.500  0.000  0.360  1.0
  In  In9  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Sr2Mg3In5 crystallizes in the tetragonal P-4m2 space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1,3) is bonded to four equivalent In(2) atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to four equivalent In(1) and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to four equivalent Sr(1), two equivalent Mg(2), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1); four equivalent Mg(1,3); and one In(1) atom. In the third In site, In(3) is bonded in a 8-coordinate geometry to four equivalent Mg(2) and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Mg3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   13.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.166
_cell_formula_units_Z   1
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  0.751  1.0
  Sr  Sr1  1  0.000  0.500  0.249  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  In  In5  1  0.500  0.000  0.143  1.0
  In  In6  1  0.000  0.500  0.640  1.0
  In  In7  1  0.000  0.500  0.857  1.0
  In  In8  1  0.500  0.000  0.360  1.0
  In  In9  1  0.500  0.500  0.000  1.0
[/CIF]
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