The material described by U4(Ru4B)3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent Ru(1), four equivalent Ru(3), and four equivalent Ru(4) atoms to form URu12 cuboctahedra that share corners with four equivalent U(2)Ru12 cuboctahedra, corners with eight equivalent U(1)Ru12 cuboctahedra,  a faceface with one U(2)Ru12 cuboctahedra, faces with five equivalent U(1)Ru12 cuboctahedra, and faces with four equivalent B(1)Ru6 octahedra. In the second U site, U(2) is bonded to four equivalent Ru(2), four equivalent Ru(4), and four equivalent Ru(5) atoms to form URu12 cuboctahedra that share corners with four equivalent U(1)Ru12 cuboctahedra, corners with eight equivalent U(2)Ru12 cuboctahedra,  a faceface with one U(1)Ru12 cuboctahedra, faces with five equivalent U(2)Ru12 cuboctahedra, faces with four equivalent B(1)Ru6 octahedra, and faces with four equivalent B(2)Ru6 octahedra. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to four equivalent U(1) and one B(1) atom. In the second Ru site, Ru(2) is bonded to four equivalent U(2), one B(1), and one B(2) atom to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third Ru site, Ru(3) is bonded in a distorted square co-planar geometry to four equivalent U(1) atoms. In the fourth Ru site, Ru(4) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fifth Ru site, Ru(5) is bonded to four equivalent U(2) and two equivalent B(2) atoms to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are two inequivalent B sites. In the first B site, B(1) is bonded to one Ru(1), one Ru(2), and four equivalent Ru(4) atoms to form BRu6 octahedra that share  a cornercorner with one B(2)Ru6 octahedra, corners with four equivalent B(1)Ru6 octahedra, faces with four equivalent U(1)Ru12 cuboctahedra, and faces with four equivalent U(2)Ru12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second B site, B(2) is bonded to two equivalent Ru(2) and four equivalent Ru(5) atoms to form BRu6 octahedra that share corners with two equivalent B(1)Ru6 octahedra, corners with four equivalent B(2)Ru6 octahedra, and faces with eight equivalent U(2)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_U4(BRu4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.156
_cell_length_b   4.156
_cell_length_c   16.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.951
_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
  U  U0  1  0.000  0.000  0.884  1.0
  U  U1  1  0.000  0.000  0.116  1.0
  U  U2  1  0.000  0.000  0.372  1.0
  U  U3  1  0.000  0.000  0.628  1.0
  B  B4  1  0.500  0.500  0.240  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.500  0.500  0.760  1.0
  Ru  Ru7  1  0.500  0.500  0.883  1.0
  Ru  Ru8  1  0.500  0.500  0.117  1.0
  Ru  Ru9  1  0.500  0.500  0.372  1.0
  Ru  Ru10  1  0.500  0.500  0.628  1.0
  Ru  Ru11  1  0.500  0.000  0.000  1.0
  Ru  Ru12  1  0.500  0.000  0.248  1.0
  Ru  Ru13  1  0.500  0.000  0.500  1.0
  Ru  Ru14  1  0.500  0.000  0.752  1.0
  Ru  Ru15  1  0.000  0.500  0.000  1.0
  Ru  Ru16  1  0.000  0.500  0.248  1.0
  Ru  Ru17  1  0.000  0.500  0.500  1.0
  Ru  Ru18  1  0.000  0.500  0.752  1.0
[/CIF]
.
The material described by U4(Ru4B)3 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent Ru(1), four equivalent Ru(3), and four equivalent Ru(4) atoms to form URu12 cuboctahedra that share corners with four equivalent U(2)Ru12 cuboctahedra, corners with eight equivalent U(1)Ru12 cuboctahedra,  a faceface with one U(2)Ru12 cuboctahedra, faces with five equivalent U(1)Ru12 cuboctahedra, and faces with four equivalent B(1)Ru6 octahedra. In the second U site, U(2) is bonded to four equivalent Ru(2), four equivalent Ru(4), and four equivalent Ru(5) atoms to form URu12 cuboctahedra that share corners with four equivalent U(1)Ru12 cuboctahedra, corners with eight equivalent U(2)Ru12 cuboctahedra,  a faceface with one U(1)Ru12 cuboctahedra, faces with five equivalent U(2)Ru12 cuboctahedra, faces with four equivalent B(1)Ru6 octahedra, and faces with four equivalent B(2)Ru6 octahedra. There are five inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to four equivalent U(1) and one B(1) atom. In the second Ru site, Ru(2) is bonded to four equivalent U(2), one B(1), and one B(2) atom to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third Ru site, Ru(3) is bonded in a distorted square co-planar geometry to four equivalent U(1) atoms. In the fourth Ru site, Ru(4) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fifth Ru site, Ru(5) is bonded to four equivalent U(2) and two equivalent B(2) atoms to form a mixture of distorted edge, face, and corner-sharing RuU4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are two inequivalent B sites. In the first B site, B(1) is bonded to one Ru(1), one Ru(2), and four equivalent Ru(4) atoms to form BRu6 octahedra that share  a cornercorner with one B(2)Ru6 octahedra, corners with four equivalent B(1)Ru6 octahedra, faces with four equivalent U(1)Ru12 cuboctahedra, and faces with four equivalent U(2)Ru12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second B site, B(2) is bonded to two equivalent Ru(2) and four equivalent Ru(5) atoms to form BRu6 octahedra that share corners with two equivalent B(1)Ru6 octahedra, corners with four equivalent B(2)Ru6 octahedra, and faces with eight equivalent U(2)Ru12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_U4(BRu4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.156
_cell_length_b   4.156
_cell_length_c   16.382
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.951
_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
  U  U0  1  0.000  0.000  0.884  1.0
  U  U1  1  0.000  0.000  0.116  1.0
  U  U2  1  0.000  0.000  0.372  1.0
  U  U3  1  0.000  0.000  0.628  1.0
  B  B4  1  0.500  0.500  0.240  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.500  0.500  0.760  1.0
  Ru  Ru7  1  0.500  0.500  0.883  1.0
  Ru  Ru8  1  0.500  0.500  0.117  1.0
  Ru  Ru9  1  0.500  0.500  0.372  1.0
  Ru  Ru10  1  0.500  0.500  0.628  1.0
  Ru  Ru11  1  0.500  0.000  0.000  1.0
  Ru  Ru12  1  0.500  0.000  0.248  1.0
  Ru  Ru13  1  0.500  0.000  0.500  1.0
  Ru  Ru14  1  0.500  0.000  0.752  1.0
  Ru  Ru15  1  0.000  0.500  0.000  1.0
  Ru  Ru16  1  0.000  0.500  0.248  1.0
  Ru  Ru17  1  0.000  0.500  0.500  1.0
  Ru  Ru18  1  0.000  0.500  0.752  1.0
[/CIF]
.