The crystal structure described by MoGe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form MoGe12 cuboctahedra that share corners with four equivalent Mo(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Ge8Mo4 cuboctahedra, faces with four equivalent Mo(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Ge8Mo4 cuboctahedra, and faces with eight equivalent Ge(1)Ge8Mo4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Mo(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form GeGe8Mo4 cuboctahedra that share corners with twelve equivalent Ge(1)Ge8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Ge8Mo4 cuboctahedra, edges with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, faces with four equivalent Mo(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Ge8Mo4 cuboctahedra, and faces with ten equivalent Ge(1)Ge8Mo4 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Mo(1) and eight equivalent Ge(1) atoms to form GeGe8Mo4 cuboctahedra that share corners with four equivalent Ge(2)Ge8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, edges with sixteen equivalent Ge(1)Ge8Mo4 cuboctahedra, faces with four equivalent Ge(2)Ge8Mo4 cuboctahedra, faces with six equivalent Mo(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Ge8Mo4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ge3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   5.097
_cell_angle_alpha   133.931
_cell_angle_beta   133.931
_cell_angle_gamma   67.196
_symmetry_Int_Tables_number   1
_cell_volume   67.538
_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
  Ge  Ge0  1  0.750  0.250  0.500  1.0
  Ge  Ge1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by MoGe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mo(1) is bonded to four equivalent Ge(2) and eight equivalent Ge(1) atoms to form MoGe12 cuboctahedra that share corners with four equivalent Mo(1)Ge12 cuboctahedra, corners with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Ge12 cuboctahedra, edges with sixteen equivalent Ge(1)Ge8Mo4 cuboctahedra, faces with four equivalent Mo(1)Ge12 cuboctahedra, faces with six equivalent Ge(2)Ge8Mo4 cuboctahedra, and faces with eight equivalent Ge(1)Ge8Mo4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Mo(1), four equivalent Ge(1), and four equivalent Ge(2) atoms to form GeGe8Mo4 cuboctahedra that share corners with twelve equivalent Ge(1)Ge8Mo4 cuboctahedra, edges with eight equivalent Mo(1)Ge12 cuboctahedra, edges with eight equivalent Ge(1)Ge8Mo4 cuboctahedra, edges with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, faces with four equivalent Mo(1)Ge12 cuboctahedra, faces with four equivalent Ge(2)Ge8Mo4 cuboctahedra, and faces with ten equivalent Ge(1)Ge8Mo4 cuboctahedra. In the second Ge site, Ge(2) is bonded to four equivalent Mo(1) and eight equivalent Ge(1) atoms to form GeGe8Mo4 cuboctahedra that share corners with four equivalent Ge(2)Ge8Mo4 cuboctahedra, corners with eight equivalent Mo(1)Ge12 cuboctahedra, edges with eight equivalent Ge(2)Ge8Mo4 cuboctahedra, edges with sixteen equivalent Ge(1)Ge8Mo4 cuboctahedra, faces with four equivalent Ge(2)Ge8Mo4 cuboctahedra, faces with six equivalent Mo(1)Ge12 cuboctahedra, and faces with eight equivalent Ge(1)Ge8Mo4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ge3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   5.097
_cell_angle_alpha   133.931
_cell_angle_beta   133.931
_cell_angle_gamma   67.196
_symmetry_Int_Tables_number   1
_cell_volume   67.538
_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
  Ge  Ge0  1  0.750  0.250  0.500  1.0
  Ge  Ge1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
[/CIF]
.