The material described by MgGe5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Ge(2), two equivalent Ge(4), two equivalent Ge(5), and four equivalent Ge(1) atoms to form distorted MgMg2Ge10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ge10 cuboctahedra, edges with eight equivalent Ge(3)Ge12 cuboctahedra, faces with two equivalent Ge(3)Ge12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ge10 cuboctahedra, and faces with six equivalent Ge(2)Mg2Ge10 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded to two equivalent Mg(1), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), and four equivalent Ge(5) atoms to form distorted GeMg2Ge10 cuboctahedra that share corners with six equivalent Ge(3)Ge12 cuboctahedra, corners with six equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with three equivalent Ge(3)Ge12 cuboctahedra, faces with two equivalent Ge(3)Ge12 cuboctahedra, faces with four equivalent Ge(2)Mg2Ge10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Ge10 cuboctahedra. In the third Ge site, Ge(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(5), and four equivalent Ge(4) atoms to form GeGe12 cuboctahedra that share corners with six equivalent Ge(3)Ge12 cuboctahedra, corners with six equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with three equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Ge10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ge10 cuboctahedra, faces with two equivalent Ge(2)Mg2Ge10 cuboctahedra, and faces with four equivalent Ge(3)Ge12 cuboctahedra. In the fourth Ge site, Ge(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and four equivalent Ge(3) atoms. In the fifth Ge site, Ge(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_MgGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.412
_symmetry_Int_Tables_number   1
_cell_volume   115.189
_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
  Mg  Mg0  1  0.780  0.220  0.000  1.0
  Ge  Ge1  1  0.330  0.670  0.500  1.0
  Ge  Ge2  1  0.663  0.337  0.500  1.0
  Ge  Ge3  1  0.999  0.001  0.500  1.0
  Ge  Ge4  1  0.448  0.552  0.000  1.0
  Ge  Ge5  1  0.114  0.886  0.000  1.0
[/CIF]
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The material described by MgGe5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Ge(2), two equivalent Ge(4), two equivalent Ge(5), and four equivalent Ge(1) atoms to form distorted MgMg2Ge10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Ge10 cuboctahedra, edges with eight equivalent Ge(3)Ge12 cuboctahedra, faces with two equivalent Ge(3)Ge12 cuboctahedra, faces with four equivalent Mg(1)Mg2Ge10 cuboctahedra, and faces with six equivalent Ge(2)Mg2Ge10 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(2) is bonded to two equivalent Mg(1), two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), and four equivalent Ge(5) atoms to form distorted GeMg2Ge10 cuboctahedra that share corners with six equivalent Ge(3)Ge12 cuboctahedra, corners with six equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with three equivalent Ge(3)Ge12 cuboctahedra, faces with two equivalent Ge(3)Ge12 cuboctahedra, faces with four equivalent Ge(2)Mg2Ge10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Ge10 cuboctahedra. In the third Ge site, Ge(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(5), and four equivalent Ge(4) atoms to form GeGe12 cuboctahedra that share corners with six equivalent Ge(3)Ge12 cuboctahedra, corners with six equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with three equivalent Ge(2)Mg2Ge10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Ge10 cuboctahedra, faces with two equivalent Mg(1)Mg2Ge10 cuboctahedra, faces with two equivalent Ge(2)Mg2Ge10 cuboctahedra, and faces with four equivalent Ge(3)Ge12 cuboctahedra. In the fourth Ge site, Ge(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and four equivalent Ge(3) atoms. In the fifth Ge site, Ge(5) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_MgGe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   5.007
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   158.412
_symmetry_Int_Tables_number   1
_cell_volume   115.189
_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
  Mg  Mg0  1  0.780  0.220  0.000  1.0
  Ge  Ge1  1  0.330  0.670  0.500  1.0
  Ge  Ge2  1  0.663  0.337  0.500  1.0
  Ge  Ge3  1  0.999  0.001  0.500  1.0
  Ge  Ge4  1  0.448  0.552  0.000  1.0
  Ge  Ge5  1  0.114  0.886  0.000  1.0
[/CIF]
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