The material structure described by ZrMoAl6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to four equivalent Al(2) and eight equivalent Al(3) atoms to form ZrAl12 cuboctahedra that share corners with four equivalent Zr(1)Al12 cuboctahedra, edges with eight equivalent Mo(1)Al12 cuboctahedra, edges with sixteen equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with four equivalent Zr(1)Al12 cuboctahedra, and faces with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra. Mo(1) is bonded to four equivalent Al(1) and eight equivalent Al(3) atoms to form MoAl12 cuboctahedra that share corners with four equivalent Mo(1)Al12 cuboctahedra, edges with eight equivalent Zr(1)Al12 cuboctahedra, edges with sixteen equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with four equivalent Mo(1)Al12 cuboctahedra, and faces with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted square co-planar geometry to four equivalent Mo(1) and eight equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and eight equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to two equivalent Zr(1), two equivalent Mo(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form distorted AlZr2Al8Mo2 cuboctahedra that share corners with twelve equivalent Al(3)Zr2Al8Mo2 cuboctahedra, edges with four equivalent Zr(1)Al12 cuboctahedra, edges with four equivalent Mo(1)Al12 cuboctahedra, edges with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with two equivalent Zr(1)Al12 cuboctahedra, faces with two equivalent Mo(1)Al12 cuboctahedra, and faces with ten equivalent Al(3)Zr2Al8Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_ZrAl6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   3.875
_cell_length_c   8.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.552
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.243  1.0
  Al  Al4  1  0.500  0.000  0.757  1.0
  Al  Al5  1  0.500  0.000  0.243  1.0
  Al  Al6  1  0.000  0.500  0.757  1.0
  Mo  Mo7  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by ZrMoAl6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Zr(1) is bonded to four equivalent Al(2) and eight equivalent Al(3) atoms to form ZrAl12 cuboctahedra that share corners with four equivalent Zr(1)Al12 cuboctahedra, edges with eight equivalent Mo(1)Al12 cuboctahedra, edges with sixteen equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with four equivalent Zr(1)Al12 cuboctahedra, and faces with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra. Mo(1) is bonded to four equivalent Al(1) and eight equivalent Al(3) atoms to form MoAl12 cuboctahedra that share corners with four equivalent Mo(1)Al12 cuboctahedra, edges with eight equivalent Zr(1)Al12 cuboctahedra, edges with sixteen equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with four equivalent Mo(1)Al12 cuboctahedra, and faces with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted square co-planar geometry to four equivalent Mo(1) and eight equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and eight equivalent Al(3) atoms. In the third Al site, Al(3) is bonded to two equivalent Zr(1), two equivalent Mo(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form distorted AlZr2Al8Mo2 cuboctahedra that share corners with twelve equivalent Al(3)Zr2Al8Mo2 cuboctahedra, edges with four equivalent Zr(1)Al12 cuboctahedra, edges with four equivalent Mo(1)Al12 cuboctahedra, edges with eight equivalent Al(3)Zr2Al8Mo2 cuboctahedra, faces with two equivalent Zr(1)Al12 cuboctahedra, faces with two equivalent Mo(1)Al12 cuboctahedra, and faces with ten equivalent Al(3)Zr2Al8Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_ZrAl6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   3.875
_cell_length_c   8.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.552
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.243  1.0
  Al  Al4  1  0.500  0.000  0.757  1.0
  Al  Al5  1  0.500  0.000  0.243  1.0
  Al  Al6  1  0.000  0.500  0.757  1.0
  Mo  Mo7  1  0.000  0.000  0.000  1.0
[/CIF]
.