The structure described by Nb2MoB2 crystallizes in the tetragonal P4/mbm space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1) and six equivalent B(1) atoms. Mo(1) is bonded to eight equivalent Nb(1) and four equivalent B(1) atoms to form a mixture of corner and face-sharing MoNb8B4 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Mo(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2B2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   3.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.512
_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
  Nb  Nb0  1  0.679  0.179  0.500  1.0
  Nb  Nb1  1  0.321  0.821  0.500  1.0
  Nb  Nb2  1  0.179  0.321  0.500  1.0
  Nb  Nb3  1  0.821  0.679  0.500  1.0
  B  B4  1  0.108  0.608  0.000  1.0
  B  B5  1  0.892  0.392  0.000  1.0
  B  B6  1  0.608  0.892  0.000  1.0
  B  B7  1  0.392  0.108  0.000  1.0
  Mo  Mo8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Nb2MoB2 crystallizes in the tetragonal P4/mbm space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1) and six equivalent B(1) atoms. Mo(1) is bonded to eight equivalent Nb(1) and four equivalent B(1) atoms to form a mixture of corner and face-sharing MoNb8B4 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Mo(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2B2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   3.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.512
_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
  Nb  Nb0  1  0.679  0.179  0.500  1.0
  Nb  Nb1  1  0.321  0.821  0.500  1.0
  Nb  Nb2  1  0.179  0.321  0.500  1.0
  Nb  Nb3  1  0.821  0.679  0.500  1.0
  B  B4  1  0.108  0.608  0.000  1.0
  B  B5  1  0.892  0.392  0.000  1.0
  B  B6  1  0.608  0.892  0.000  1.0
  B  B7  1  0.392  0.108  0.000  1.0
  Mo  Mo8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.500  0.500  0.000  1.0
[/CIF]
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