The compound described by Nb3As crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent As(1) atoms. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. In the third Nb site, Nb(3) is bonded in a 2-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), three equivalent Nb(3), and four equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   10.346
_cell_length_c   10.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.678
_cell_formula_units_Z   8
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  0.727  0.165  0.656  1.0
  Nb  Nb1  1  0.227  0.344  0.665  1.0
  Nb  Nb2  1  0.227  0.156  0.835  1.0
  Nb  Nb3  1  0.727  0.335  0.844  1.0
  Nb  Nb4  1  0.273  0.835  0.344  1.0
  Nb  Nb5  1  0.773  0.656  0.335  1.0
  Nb  Nb6  1  0.773  0.844  0.165  1.0
  Nb  Nb7  1  0.273  0.665  0.156  1.0
  Nb  Nb8  1  0.519  0.101  0.262  1.0
  Nb  Nb9  1  0.019  0.738  0.601  1.0
  Nb  Nb10  1  0.019  0.762  0.899  1.0
  Nb  Nb11  1  0.519  0.399  0.238  1.0
  Nb  Nb12  1  0.481  0.899  0.738  1.0
  Nb  Nb13  1  0.981  0.262  0.399  1.0
  Nb  Nb14  1  0.981  0.238  0.101  1.0
  Nb  Nb15  1  0.481  0.601  0.762  1.0
  Nb  Nb16  1  0.240  0.056  0.536  1.0
  Nb  Nb17  1  0.740  0.464  0.556  1.0
  Nb  Nb18  1  0.740  0.036  0.944  1.0
  Nb  Nb19  1  0.240  0.444  0.964  1.0
  Nb  Nb20  1  0.760  0.944  0.464  1.0
  Nb  Nb21  1  0.260  0.536  0.444  1.0
  Nb  Nb22  1  0.260  0.964  0.056  1.0
  Nb  Nb23  1  0.760  0.556  0.036  1.0
  As  As24  1  0.021  0.043  0.272  1.0
  As  As25  1  0.521  0.728  0.543  1.0
  As  As26  1  0.521  0.772  0.957  1.0
  As  As27  1  0.021  0.457  0.228  1.0
  As  As28  1  0.979  0.957  0.728  1.0
  As  As29  1  0.479  0.272  0.457  1.0
  As  As30  1  0.479  0.228  0.043  1.0
  As  As31  1  0.979  0.543  0.772  1.0
[/CIF]
.
The compound described by Nb3As crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to two equivalent As(1) atoms. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. In the third Nb site, Nb(3) is bonded in a 2-coordinate geometry to three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), three equivalent Nb(3), and four equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   10.346
_cell_length_c   10.346
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.678
_cell_formula_units_Z   8
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  0.727  0.165  0.656  1.0
  Nb  Nb1  1  0.227  0.344  0.665  1.0
  Nb  Nb2  1  0.227  0.156  0.835  1.0
  Nb  Nb3  1  0.727  0.335  0.844  1.0
  Nb  Nb4  1  0.273  0.835  0.344  1.0
  Nb  Nb5  1  0.773  0.656  0.335  1.0
  Nb  Nb6  1  0.773  0.844  0.165  1.0
  Nb  Nb7  1  0.273  0.665  0.156  1.0
  Nb  Nb8  1  0.519  0.101  0.262  1.0
  Nb  Nb9  1  0.019  0.738  0.601  1.0
  Nb  Nb10  1  0.019  0.762  0.899  1.0
  Nb  Nb11  1  0.519  0.399  0.238  1.0
  Nb  Nb12  1  0.481  0.899  0.738  1.0
  Nb  Nb13  1  0.981  0.262  0.399  1.0
  Nb  Nb14  1  0.981  0.238  0.101  1.0
  Nb  Nb15  1  0.481  0.601  0.762  1.0
  Nb  Nb16  1  0.240  0.056  0.536  1.0
  Nb  Nb17  1  0.740  0.464  0.556  1.0
  Nb  Nb18  1  0.740  0.036  0.944  1.0
  Nb  Nb19  1  0.240  0.444  0.964  1.0
  Nb  Nb20  1  0.760  0.944  0.464  1.0
  Nb  Nb21  1  0.260  0.536  0.444  1.0
  Nb  Nb22  1  0.260  0.964  0.056  1.0
  Nb  Nb23  1  0.760  0.556  0.036  1.0
  As  As24  1  0.021  0.043  0.272  1.0
  As  As25  1  0.521  0.728  0.543  1.0
  As  As26  1  0.521  0.772  0.957  1.0
  As  As27  1  0.021  0.457  0.228  1.0
  As  As28  1  0.979  0.957  0.728  1.0
  As  As29  1  0.479  0.272  0.457  1.0
  As  As30  1  0.479  0.228  0.043  1.0
  As  As31  1  0.979  0.543  0.772  1.0
[/CIF]
.