The material structure described by SrMgIn3 crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), four equivalent In(2), and eight equivalent In(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1), four equivalent In(1), and four equivalent In(2) atoms. There are two 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(1), one In(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Sr(1), four equivalent Mg(1), and four equivalent In(1) atoms to form a mixture of corner and face-sharing InSr4Mg4In4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.706
_cell_length_b   4.706
_cell_length_c   7.136
_cell_angle_alpha   109.254
_cell_angle_beta   109.254
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.831
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.389  0.389  0.778  1.0
  In  In3  1  0.611  0.611  0.222  1.0
  In  In4  1  0.750  0.250  0.500  1.0
[/CIF]
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The material structure described by SrMgIn3 crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), four equivalent In(2), and eight equivalent In(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1), four equivalent In(1), and four equivalent In(2) atoms. There are two 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(1), one In(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent Sr(1), four equivalent Mg(1), and four equivalent In(1) atoms to form a mixture of corner and face-sharing InSr4Mg4In4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.706
_cell_length_b   4.706
_cell_length_c   7.136
_cell_angle_alpha   109.254
_cell_angle_beta   109.254
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.831
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  In  In2  1  0.389  0.389  0.778  1.0
  In  In3  1  0.611  0.611  0.222  1.0
  In  In4  1  0.750  0.250  0.500  1.0
[/CIF]
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