data_Cr4B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   94.25
_cell_angle_beta   94.25
_cell_angle_gamma   148.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4B5
_chemical_formula_sum   'Cr4 B5'
_cell_volume   78.03
_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
  Cr  Cr5  1  0.0  0.27  0.0  1.0
  Cr  Cr6  1  0.0  0.03  0.0  1.0
  Cr  Cr7  1  0.03  0.0  0.0  1.0
  Cr  Cr8  1  0.27  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.51  0.49  0.46  1.0
  B  B2  1  0.49  0.51  0.46  1.0
  B  B3  1  0.16  0.16  0.0  1.0
  B  B4  1  0.49  0.49  0.46  1.0

data_Cr4B5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.92
_cell_length_b   10.33
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr4B5
_chemical_formula_sum   'Cr8 B10'
_cell_volume   156.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  4  0.36  0.36  -0.0  1.0
  Cr  Cr1  4  0.48  0.48  -0.0  1.0
  B  B2  4  0.46  0.49  0.46  1.0
  B  B3  2  0.0  0.0  0.0  1.0
  B  B4  2  0.34  0.5  -0.0  1.0
  B  B5  2  0.47  0.5  0.46  1.0

Cr Cr Cr Cr B B B B B
Cr Cr Cr Cr B B B B B 0 7 o o o 0 4 o o o 0 1 o o o 1 4 o o o 1 7 o o o 2 4 o o o 2 3 o o o 2 7 o o o 3 7 o o o 3 4 o o o 4 7 o o o 5 8 o o o 6 8 o o o 
(Cr2B)2(B)3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two B clusters and two Cr2B clusters. In each B cluster, there are two inequivalent B sites. In the first B site, B(2) is bonded in a single-bond geometry to one B(4) atom. The B(2)-B(4) bond length is 0.12 Å. In the second B site, B(4) is bonded in a bent 150 degrees geometry to two equivalent B(2) atoms. In each Cr2B cluster, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Cr(2) and one B(3) atom. The Cr(1)-Cr(2) bond length is 1.27 Å. The Cr(1)-B(3) bond length is 1.40 Å. In the second Cr site, Cr(2) is bonded in a distorted L-shaped geometry to one Cr(1), one B(1), and one B(3) atom. The Cr(2)-B(1) bond length is 0.18 Å. The Cr(2)-B(3) bond length is 0.46 Å. There are two inequivalent B sites. In the first B site, B(3) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Cr(2) atoms. In the second B site, B(1) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms.