The structure described by Nb2CrB2 crystallizes in the tetragonal P4/mbm space group. Nb(1) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. Cr(1) is bonded in a distorted square co-planar geometry to four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Cr(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Nb2CrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.256
_cell_length_b   5.954
_cell_length_c   5.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.438
_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  0.500  0.181  0.681  1.0
  Nb  Nb1  1  0.500  0.819  0.319  1.0
  Nb  Nb2  1  0.500  0.319  0.181  1.0
  Nb  Nb3  1  0.500  0.681  0.819  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.000  0.610  0.110  1.0
  B  B7  1  0.000  0.390  0.890  1.0
  B  B8  1  0.000  0.890  0.610  1.0
  B  B9  1  0.000  0.110  0.390  1.0
[/CIF]
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The structure described by Nb2CrB2 crystallizes in the tetragonal P4/mbm space group. Nb(1) is bonded in a 6-coordinate geometry to six equivalent B(1) atoms. Cr(1) is bonded in a distorted square co-planar geometry to four equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to six equivalent Nb(1), two equivalent Cr(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Nb2CrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.256
_cell_length_b   5.954
_cell_length_c   5.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.438
_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  0.500  0.181  0.681  1.0
  Nb  Nb1  1  0.500  0.819  0.319  1.0
  Nb  Nb2  1  0.500  0.319  0.181  1.0
  Nb  Nb3  1  0.500  0.681  0.819  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.000  0.610  0.110  1.0
  B  B7  1  0.000  0.390  0.890  1.0
  B  B8  1  0.000  0.890  0.610  1.0
  B  B9  1  0.000  0.110  0.390  1.0
[/CIF]
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