The crystal structure described by Mg3Mo crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and four equivalent Mo(1) atoms to form distorted MgMg8Mo4 cuboctahedra that share corners with eight equivalent Mo(1)Mg10Mo2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Mo4 cuboctahedra, edges with two equivalent Mg(1)Mg8Mo4 cuboctahedra, edges with four equivalent Mo(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(1)Mg8Mo4 cuboctahedra, and faces with four equivalent Mo(1)Mg10Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent Mo(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(1) and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MoMg10Mo2 cuboctahedra that share corners with eight equivalent Mg(1)Mg8Mo4 cuboctahedra, corners with ten equivalent Mo(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Mo4 cuboctahedra, faces with four equivalent Mg(1)Mg8Mo4 cuboctahedra, and faces with four equivalent Mo(1)Mg10Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.873
_cell_length_b   4.905
_cell_length_c   5.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.397
_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  0.000  0.000  0.655  1.0
  Mg  Mg1  1  0.000  0.500  0.325  1.0
  Mg  Mg2  1  0.500  0.500  0.866  1.0
  Mo  Mo3  1  0.500  0.000  0.154  1.0
[/CIF]
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The crystal structure described by Mg3Mo crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and four equivalent Mo(1) atoms to form distorted MgMg8Mo4 cuboctahedra that share corners with eight equivalent Mo(1)Mg10Mo2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Mo4 cuboctahedra, edges with two equivalent Mg(1)Mg8Mo4 cuboctahedra, edges with four equivalent Mo(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(1)Mg8Mo4 cuboctahedra, and faces with four equivalent Mo(1)Mg10Mo2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent Mo(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(1) and two equivalent Mo(1) atoms. Mo(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mo(1) atoms to form distorted MoMg10Mo2 cuboctahedra that share corners with eight equivalent Mg(1)Mg8Mo4 cuboctahedra, corners with ten equivalent Mo(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Mo4 cuboctahedra, faces with four equivalent Mg(1)Mg8Mo4 cuboctahedra, and faces with four equivalent Mo(1)Mg10Mo2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.873
_cell_length_b   4.905
_cell_length_c   5.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.397
_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  0.000  0.000  0.655  1.0
  Mg  Mg1  1  0.000  0.500  0.325  1.0
  Mg  Mg2  1  0.500  0.500  0.866  1.0
  Mo  Mo3  1  0.500  0.000  0.154  1.0
[/CIF]
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