The material structure described by Nb2P5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent P(4), three equivalent P(1), and three equivalent P(2) atoms. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(2), and three equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the third P site, P(3) is bonded to one Nb(2), one P(4), and two equivalent P(3) atoms to form distorted PNbP3 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fourth P site, P(4) is bonded to two equivalent Nb(1), one P(3), and one P(5) atom to form distorted PNb2P2 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to three equivalent Nb(2), one P(4), and two equivalent P(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.392
_cell_length_b   7.932
_cell_length_c   16.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.808
_cell_formula_units_Z   4
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  0.250  0.327  0.774  1.0
  Nb  Nb1  1  0.750  0.673  0.226  1.0
  Nb  Nb2  1  0.750  0.827  0.726  1.0
  Nb  Nb3  1  0.250  0.173  0.274  1.0
  Nb  Nb4  1  0.250  0.335  0.595  1.0
  Nb  Nb5  1  0.750  0.665  0.405  1.0
  Nb  Nb6  1  0.750  0.835  0.905  1.0
  Nb  Nb7  1  0.250  0.165  0.095  1.0
  P  P8  1  0.750  0.154  0.685  1.0
  P  P9  1  0.250  0.846  0.315  1.0
  P  P10  1  0.250  0.654  0.815  1.0
  P  P11  1  0.750  0.346  0.185  1.0
  P  P12  1  0.250  0.003  0.815  1.0
  P  P13  1  0.750  0.997  0.185  1.0
  P  P14  1  0.750  0.503  0.685  1.0
  P  P15  1  0.250  0.497  0.315  1.0
  P  P16  1  0.250  0.463  0.040  1.0
  P  P17  1  0.750  0.537  0.960  1.0
  P  P18  1  0.750  0.963  0.460  1.0
  P  P19  1  0.250  0.037  0.540  1.0
  P  P20  1  0.750  0.184  0.385  1.0
  P  P21  1  0.250  0.816  0.615  1.0
  P  P22  1  0.250  0.684  0.115  1.0
  P  P23  1  0.750  0.316  0.885  1.0
  P  P24  1  0.750  0.121  0.978  1.0
  P  P25  1  0.250  0.879  0.022  1.0
  P  P26  1  0.250  0.621  0.522  1.0
  P  P27  1  0.750  0.379  0.478  1.0
[/CIF]
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The material structure described by Nb2P5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent P(4), three equivalent P(1), and three equivalent P(2) atoms. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(2), and three equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the third P site, P(3) is bonded to one Nb(2), one P(4), and two equivalent P(3) atoms to form distorted PNbP3 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fourth P site, P(4) is bonded to two equivalent Nb(1), one P(3), and one P(5) atom to form distorted PNb2P2 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to three equivalent Nb(2), one P(4), and two equivalent P(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.392
_cell_length_b   7.932
_cell_length_c   16.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.808
_cell_formula_units_Z   4
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  0.250  0.327  0.774  1.0
  Nb  Nb1  1  0.750  0.673  0.226  1.0
  Nb  Nb2  1  0.750  0.827  0.726  1.0
  Nb  Nb3  1  0.250  0.173  0.274  1.0
  Nb  Nb4  1  0.250  0.335  0.595  1.0
  Nb  Nb5  1  0.750  0.665  0.405  1.0
  Nb  Nb6  1  0.750  0.835  0.905  1.0
  Nb  Nb7  1  0.250  0.165  0.095  1.0
  P  P8  1  0.750  0.154  0.685  1.0
  P  P9  1  0.250  0.846  0.315  1.0
  P  P10  1  0.250  0.654  0.815  1.0
  P  P11  1  0.750  0.346  0.185  1.0
  P  P12  1  0.250  0.003  0.815  1.0
  P  P13  1  0.750  0.997  0.185  1.0
  P  P14  1  0.750  0.503  0.685  1.0
  P  P15  1  0.250  0.497  0.315  1.0
  P  P16  1  0.250  0.463  0.040  1.0
  P  P17  1  0.750  0.537  0.960  1.0
  P  P18  1  0.750  0.963  0.460  1.0
  P  P19  1  0.250  0.037  0.540  1.0
  P  P20  1  0.750  0.184  0.385  1.0
  P  P21  1  0.250  0.816  0.615  1.0
  P  P22  1  0.250  0.684  0.115  1.0
  P  P23  1  0.750  0.316  0.885  1.0
  P  P24  1  0.750  0.121  0.978  1.0
  P  P25  1  0.250  0.879  0.022  1.0
  P  P26  1  0.250  0.621  0.522  1.0
  P  P27  1  0.750  0.379  0.478  1.0
[/CIF]
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