The compound described by ZrOsAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), one Os(3), two equivalent Os(1), two equivalent Os(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted OsZr6Al6 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, corners with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(1)Zr6Al6 cuboctahedra, edges with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the second Os site, Os(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Os(2), two equivalent Os(3), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with two equivalent Os(1)Zr6Al6 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the third Os site, Os(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Os(2), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, edges with four equivalent Os(1)Zr6Al6 cuboctahedra, faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, and faces with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Os(1), one Os(3), two equivalent Os(2), and two equivalent Al(2) atoms to form distorted AlZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with two equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(1)Zr6Al6 cuboctahedra, and faces with six equivalent Os(2)Zr6Al2Os4 cuboctahedra. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Os(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_ZrAlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.298
_cell_length_c   8.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.284
_symmetry_Int_Tables_number   1
_cell_volume   206.514
_cell_formula_units_Z   4
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  0.335  0.665  0.202  1.0
  Zr  Zr1  1  0.673  0.327  0.321  1.0
  Zr  Zr2  1  0.673  0.327  0.679  1.0
  Zr  Zr3  1  0.335  0.665  0.798  1.0
  Al  Al4  1  0.995  0.005  0.251  1.0
  Al  Al5  1  0.995  0.005  0.749  1.0
  Al  Al6  1  0.829  0.657  0.000  1.0
  Al  Al7  1  0.343  0.171  0.000  1.0
  Os  Os8  1  0.830  0.170  0.000  1.0
  Os  Os9  1  0.167  0.340  0.500  1.0
  Os  Os10  1  0.660  0.833  0.500  1.0
  Os  Os11  1  0.164  0.836  0.500  1.0
[/CIF]
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The compound described by ZrOsAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), one Os(3), two equivalent Os(1), two equivalent Os(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted OsZr6Al6 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, corners with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(1)Zr6Al6 cuboctahedra, edges with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the second Os site, Os(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Os(2), two equivalent Os(3), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with two equivalent Os(1)Zr6Al6 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the third Os site, Os(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Os(2), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, edges with four equivalent Os(1)Zr6Al6 cuboctahedra, faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, and faces with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Os(1), one Os(3), two equivalent Os(2), and two equivalent Al(2) atoms to form distorted AlZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with two equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(1)Zr6Al6 cuboctahedra, and faces with six equivalent Os(2)Zr6Al2Os4 cuboctahedra. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Os(1), two equivalent Al(1), and two equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_ZrAlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.298
_cell_length_b   5.298
_cell_length_c   8.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.284
_symmetry_Int_Tables_number   1
_cell_volume   206.514
_cell_formula_units_Z   4
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  0.335  0.665  0.202  1.0
  Zr  Zr1  1  0.673  0.327  0.321  1.0
  Zr  Zr2  1  0.673  0.327  0.679  1.0
  Zr  Zr3  1  0.335  0.665  0.798  1.0
  Al  Al4  1  0.995  0.005  0.251  1.0
  Al  Al5  1  0.995  0.005  0.749  1.0
  Al  Al6  1  0.829  0.657  0.000  1.0
  Al  Al7  1  0.343  0.171  0.000  1.0
  Os  Os8  1  0.830  0.170  0.000  1.0
  Os  Os9  1  0.167  0.340  0.500  1.0
  Os  Os10  1  0.660  0.833  0.500  1.0
  Os  Os11  1  0.164  0.836  0.500  1.0
[/CIF]
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