The compound described by Nb7As4 crystallizes in the monoclinic C2/m space group. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to two equivalent As(1) and two equivalent As(4) atoms. In the second Nb site, Nb(2) is bonded in a distorted square co-planar geometry to two equivalent As(2) and two equivalent As(3) atoms. In the third Nb site, Nb(3) is bonded in a 4-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(4) atoms. In the fourth Nb site, Nb(4) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(2) atoms. In the fifth Nb site, Nb(5) is bonded to one As(4), two equivalent As(1), and two equivalent As(3) atoms to form a mixture of distorted edge, corner, and face-sharing NbAs5 trigonal bipyramids. In the sixth Nb site, Nb(6) is bonded in a 4-coordinate geometry to two equivalent As(4) and three equivalent As(1) atoms. In the seventh Nb site, Nb(7) is bonded to one As(4), two equivalent As(2), and two equivalent As(3) atoms to form a mixture of distorted edge, corner, and face-sharing NbAs5 trigonal bipyramids. In the eighth Nb site, Nb(8) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(2) atoms. There are four inequivalent As sites. In the first As site, As(3) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(4), two equivalent Nb(5), two equivalent Nb(7), and two equivalent Nb(8) atoms. In the second As site, As(4) is bonded to one Nb(1), one Nb(5), one Nb(7), two equivalent Nb(3), and two equivalent Nb(6) atoms to form a mixture of distorted edge and corner-sharing AsNb7 pentagonal bipyramids. In the third As site, As(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(4), two equivalent Nb(3), two equivalent Nb(5), and three equivalent Nb(6) atoms. In the fourth As site, As(2) is bonded in a 9-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(4), two equivalent Nb(7), and three equivalent Nb(8) atoms. is represented by the CIF card [CIF]
data_Nb7As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.552
_cell_length_b   7.983
_cell_length_c   14.301
_cell_angle_alpha   104.447
_cell_angle_beta   90.000
_cell_angle_gamma   102.853
_symmetry_Int_Tables_number   1
_cell_volume   382.155
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.000  0.500  1.0
  Nb  Nb2  1  0.431  0.862  0.826  1.0
  Nb  Nb3  1  0.569  0.138  0.174  1.0
  Nb  Nb4  1  0.196  0.392  0.310  1.0
  Nb  Nb5  1  0.804  0.608  0.690  1.0
  Nb  Nb6  1  0.211  0.422  0.800  1.0
  Nb  Nb7  1  0.789  0.578  0.200  1.0
  Nb  Nb8  1  0.336  0.672  0.029  1.0
  Nb  Nb9  1  0.664  0.328  0.971  1.0
  Nb  Nb10  1  0.003  0.006  0.663  1.0
  Nb  Nb11  1  0.997  0.994  0.337  1.0
  Nb  Nb12  1  0.177  0.354  0.542  1.0
  Nb  Nb13  1  0.823  0.646  0.458  1.0
  As  As14  1  0.173  0.346  0.111  1.0
  As  As15  1  0.827  0.654  0.889  1.0
  As  As16  1  0.373  0.746  0.602  1.0
  As  As17  1  0.627  0.254  0.398  1.0
  As  As18  1  0.370  0.741  0.335  1.0
  As  As19  1  0.630  0.259  0.665  1.0
  As  As20  1  0.064  0.128  0.849  1.0
  As  As21  1  0.936  0.872  0.151  1.0
[/CIF]
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The compound described by Nb7As4 crystallizes in the monoclinic C2/m space group. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a square co-planar geometry to two equivalent As(1) and two equivalent As(4) atoms. In the second Nb site, Nb(2) is bonded in a distorted square co-planar geometry to two equivalent As(2) and two equivalent As(3) atoms. In the third Nb site, Nb(3) is bonded in a 4-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(4) atoms. In the fourth Nb site, Nb(4) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(2) atoms. In the fifth Nb site, Nb(5) is bonded to one As(4), two equivalent As(1), and two equivalent As(3) atoms to form a mixture of distorted edge, corner, and face-sharing NbAs5 trigonal bipyramids. In the sixth Nb site, Nb(6) is bonded in a 4-coordinate geometry to two equivalent As(4) and three equivalent As(1) atoms. In the seventh Nb site, Nb(7) is bonded to one As(4), two equivalent As(2), and two equivalent As(3) atoms to form a mixture of distorted edge, corner, and face-sharing NbAs5 trigonal bipyramids. In the eighth Nb site, Nb(8) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(2) atoms. There are four inequivalent As sites. In the first As site, As(3) is bonded in a 8-coordinate geometry to one Nb(2), one Nb(4), two equivalent Nb(5), two equivalent Nb(7), and two equivalent Nb(8) atoms. In the second As site, As(4) is bonded to one Nb(1), one Nb(5), one Nb(7), two equivalent Nb(3), and two equivalent Nb(6) atoms to form a mixture of distorted edge and corner-sharing AsNb7 pentagonal bipyramids. In the third As site, As(1) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(4), two equivalent Nb(3), two equivalent Nb(5), and three equivalent Nb(6) atoms. In the fourth As site, As(2) is bonded in a 9-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(4), two equivalent Nb(7), and three equivalent Nb(8) atoms. is represented by the CIF card [CIF]
data_Nb7As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.552
_cell_length_b   7.983
_cell_length_c   14.301
_cell_angle_alpha   104.447
_cell_angle_beta   90.000
_cell_angle_gamma   102.853
_symmetry_Int_Tables_number   1
_cell_volume   382.155
_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  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.000  0.500  1.0
  Nb  Nb2  1  0.431  0.862  0.826  1.0
  Nb  Nb3  1  0.569  0.138  0.174  1.0
  Nb  Nb4  1  0.196  0.392  0.310  1.0
  Nb  Nb5  1  0.804  0.608  0.690  1.0
  Nb  Nb6  1  0.211  0.422  0.800  1.0
  Nb  Nb7  1  0.789  0.578  0.200  1.0
  Nb  Nb8  1  0.336  0.672  0.029  1.0
  Nb  Nb9  1  0.664  0.328  0.971  1.0
  Nb  Nb10  1  0.003  0.006  0.663  1.0
  Nb  Nb11  1  0.997  0.994  0.337  1.0
  Nb  Nb12  1  0.177  0.354  0.542  1.0
  Nb  Nb13  1  0.823  0.646  0.458  1.0
  As  As14  1  0.173  0.346  0.111  1.0
  As  As15  1  0.827  0.654  0.889  1.0
  As  As16  1  0.373  0.746  0.602  1.0
  As  As17  1  0.627  0.254  0.398  1.0
  As  As18  1  0.370  0.741  0.335  1.0
  As  As19  1  0.630  0.259  0.665  1.0
  As  As20  1  0.064  0.128  0.849  1.0
  As  As21  1  0.936  0.872  0.151  1.0
[/CIF]
.