data_DyB3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   3.17
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyB3Mo
_chemical_formula_sum   'Dy2 B6 Mo2'
_cell_volume   115.93
_cell_formula_units_Z   2
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
  Dy  Dy0  1  0.67  0.38  0.75  1.0
  Dy  Dy1  1  0.35  0.79  0.95  1.0
  B  B2  1  0.68  0.38  0.51  1.0
  B  B3  1  0.34  0.79  0.18  1.0
  B  B4  1  0.47  0.38  0.03  1.0
  B  B5  1  0.55  0.79  0.66  1.0
  B  B6  1  0.26  0.38  0.04  1.0
  B  B7  1  0.75  0.79  0.65  1.0
  Mo  Mo8  1  0.12  0.38  0.47  1.0
  Mo  Mo9  1  0.9  0.79  0.22  1.0

data_DyB3Mo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.17
_cell_length_b   5.46
_cell_length_c   6.85
_cell_angle_alpha   102.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   DyB3Mo
_chemical_formula_sum   'Dy2 B6 Mo2'
_cell_volume   115.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Dy  Dy0  2  0.21  0.84  0.1  1.0
  B  B1  2  0.21  0.04  0.82  1.0
  B  B2  2  0.21  0.25  0.8  1.0
  B  B3  2  0.21  0.83  0.34  1.0
  Mo  Mo4  2  0.21  0.39  0.37  1.0

Dy Dy B B B B B B Mo Mo
Dy Dy B B B B B B Mo Mo 0 5 o o o 0 7 o o o 0 2 o o o 1 6 o o + 1 3 o o + 1 4 o o + 2 5 o o o 2 7 o o o 2 8 + o o 2 8 o o o 2 9 o o o 3 6 o o o 3 4 o o o 3 8 o o o 3 9 o o o 3 9 - o o 4 6 o o o 4 9 o o o 4 9 o - o 5 7 o o o 5 8 o + o 5 8 o o o 6 9 - o o 7 8 + o o 8 9 - - o 8 9 - o o 
DyMoB3 crystallizes in the triclinic P-1 space group. Dy(1) is bonded in a 6-coordinate geometry to one B(1), two equivalent B(3), and three equivalent B(2) atoms. The Dy(1)-B(1) bond length is 1.64 Å. There is one shorter (1.58 Å) and one longer (2.07 Å) Dy(1)-B(3) bond length. There are a spread of Dy(1)-B(2) bond distances ranging from 1.53-2.40 Å. Mo(1) is bonded in a 3-coordinate geometry to one Mo(1), one B(1), and one B(2) atom. The Mo(1)-Mo(1) bond length is 2.27 Å. The Mo(1)-B(1) bond length is 2.44 Å. The Mo(1)-B(2) bond length is 2.77 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one Dy(1) and one Mo(1) atom. In the second B site, B(2) is bonded in a 4-coordinate geometry to three equivalent Dy(1), one Mo(1), and one B(3) atom. The B(2)-B(3) bond length is 1.16 Å. In the third B site, B(3) is bonded in a 2-coordinate geometry to two equivalent Dy(1) and one B(2) atom.