The crystal structure described by K3(Mg10In7)2 crystallizes in the cubic Pm-3m space group. K(1) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(2), and eight equivalent In(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one K(1), one In(3), and four equivalent In(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent K(1), one In(1), and three equivalent In(2) atoms to form a mixture of face, corner, and edge-sharing MgK3In4 tetrahedra. There are three inequivalent In sites. In the first In site, In(3) is bonded in a cuboctahedral geometry to twelve equivalent Mg(1) atoms. In the second In site, In(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the third In site, In(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3(Mg10In7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.862
_cell_length_b   9.862
_cell_length_c   9.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   959.137
_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
  K  K0  1  0.000  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.735  0.735  1.0
  Mg  Mg4  1  0.265  0.500  0.265  1.0
  Mg  Mg5  1  0.825  0.825  0.825  1.0
  Mg  Mg6  1  0.500  0.265  0.265  1.0
  Mg  Mg7  1  0.825  0.175  0.175  1.0
  Mg  Mg8  1  0.175  0.175  0.175  1.0
  Mg  Mg9  1  0.500  0.735  0.265  1.0
  Mg  Mg10  1  0.175  0.175  0.825  1.0
  Mg  Mg11  1  0.825  0.175  0.825  1.0
  Mg  Mg12  1  0.735  0.500  0.265  1.0
  Mg  Mg13  1  0.735  0.735  0.500  1.0
  Mg  Mg14  1  0.265  0.735  0.500  1.0
  Mg  Mg15  1  0.265  0.265  0.500  1.0
  Mg  Mg16  1  0.175  0.825  0.175  1.0
  Mg  Mg17  1  0.265  0.500  0.735  1.0
  Mg  Mg18  1  0.825  0.825  0.175  1.0
  Mg  Mg19  1  0.735  0.500  0.735  1.0
  Mg  Mg20  1  0.500  0.265  0.735  1.0
  Mg  Mg21  1  0.175  0.825  0.825  1.0
  Mg  Mg22  1  0.735  0.265  0.500  1.0
  In  In23  1  0.000  0.000  0.000  1.0
  In  In24  1  0.349  0.000  0.349  1.0
  In  In25  1  0.000  0.349  0.651  1.0
  In  In26  1  0.651  0.000  0.349  1.0
  In  In27  1  0.000  0.651  0.651  1.0
  In  In28  1  0.000  0.651  0.349  1.0
  In  In29  1  0.349  0.651  0.000  1.0
  In  In30  1  0.651  0.000  0.651  1.0
  In  In31  1  0.000  0.349  0.349  1.0
  In  In32  1  0.651  0.651  0.000  1.0
  In  In33  1  0.349  0.349  0.000  1.0
  In  In34  1  0.349  0.000  0.651  1.0
  In  In35  1  0.500  0.500  0.500  1.0
  In  In36  1  0.651  0.349  0.000  1.0
[/CIF]
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The crystal structure described by K3(Mg10In7)2 crystallizes in the cubic Pm-3m space group. K(1) is bonded in a 20-coordinate geometry to four equivalent Mg(1), eight equivalent Mg(2), and eight equivalent In(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one K(1), one In(3), and four equivalent In(2) atoms. In the second Mg site, Mg(2) is bonded to three equivalent K(1), one In(1), and three equivalent In(2) atoms to form a mixture of face, corner, and edge-sharing MgK3In4 tetrahedra. There are three inequivalent In sites. In the first In site, In(3) is bonded in a cuboctahedral geometry to twelve equivalent Mg(1) atoms. In the second In site, In(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(2) atoms. In the third In site, In(2) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3(Mg10In7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.862
_cell_length_b   9.862
_cell_length_c   9.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   959.137
_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
  K  K0  1  0.000  0.500  0.000  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.735  0.735  1.0
  Mg  Mg4  1  0.265  0.500  0.265  1.0
  Mg  Mg5  1  0.825  0.825  0.825  1.0
  Mg  Mg6  1  0.500  0.265  0.265  1.0
  Mg  Mg7  1  0.825  0.175  0.175  1.0
  Mg  Mg8  1  0.175  0.175  0.175  1.0
  Mg  Mg9  1  0.500  0.735  0.265  1.0
  Mg  Mg10  1  0.175  0.175  0.825  1.0
  Mg  Mg11  1  0.825  0.175  0.825  1.0
  Mg  Mg12  1  0.735  0.500  0.265  1.0
  Mg  Mg13  1  0.735  0.735  0.500  1.0
  Mg  Mg14  1  0.265  0.735  0.500  1.0
  Mg  Mg15  1  0.265  0.265  0.500  1.0
  Mg  Mg16  1  0.175  0.825  0.175  1.0
  Mg  Mg17  1  0.265  0.500  0.735  1.0
  Mg  Mg18  1  0.825  0.825  0.175  1.0
  Mg  Mg19  1  0.735  0.500  0.735  1.0
  Mg  Mg20  1  0.500  0.265  0.735  1.0
  Mg  Mg21  1  0.175  0.825  0.825  1.0
  Mg  Mg22  1  0.735  0.265  0.500  1.0
  In  In23  1  0.000  0.000  0.000  1.0
  In  In24  1  0.349  0.000  0.349  1.0
  In  In25  1  0.000  0.349  0.651  1.0
  In  In26  1  0.651  0.000  0.349  1.0
  In  In27  1  0.000  0.651  0.651  1.0
  In  In28  1  0.000  0.651  0.349  1.0
  In  In29  1  0.349  0.651  0.000  1.0
  In  In30  1  0.651  0.000  0.651  1.0
  In  In31  1  0.000  0.349  0.349  1.0
  In  In32  1  0.651  0.651  0.000  1.0
  In  In33  1  0.349  0.349  0.000  1.0
  In  In34  1  0.349  0.000  0.651  1.0
  In  In35  1  0.500  0.500  0.500  1.0
  In  In36  1  0.651  0.349  0.000  1.0
[/CIF]
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