The crystal structure described by Zr3P crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted see-saw-like geometry to four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. In the third Zr site, Zr(3) is bonded in a distorted bent 150 degrees geometry to two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Zr(3), three equivalent Zr(2), and four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   10.840
_cell_length_c   10.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.158
_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
  Zr  Zr0  1  0.529  0.113  0.277  1.0
  Zr  Zr1  1  0.029  0.723  0.613  1.0
  Zr  Zr2  1  0.029  0.777  0.887  1.0
  Zr  Zr3  1  0.529  0.387  0.223  1.0
  Zr  Zr4  1  0.471  0.887  0.723  1.0
  Zr  Zr5  1  0.971  0.277  0.387  1.0
  Zr  Zr6  1  0.971  0.223  0.113  1.0
  Zr  Zr7  1  0.471  0.613  0.777  1.0
  Zr  Zr8  1  0.235  0.070  0.535  1.0
  Zr  Zr9  1  0.735  0.465  0.570  1.0
  Zr  Zr10  1  0.735  0.035  0.930  1.0
  Zr  Zr11  1  0.235  0.430  0.965  1.0
  Zr  Zr12  1  0.765  0.930  0.465  1.0
  Zr  Zr13  1  0.265  0.535  0.430  1.0
  Zr  Zr14  1  0.265  0.965  0.070  1.0
  Zr  Zr15  1  0.765  0.570  0.035  1.0
  Zr  Zr16  1  0.288  0.665  0.143  1.0
  Zr  Zr17  1  0.788  0.857  0.165  1.0
  Zr  Zr18  1  0.788  0.643  0.335  1.0
  Zr  Zr19  1  0.288  0.835  0.357  1.0
  Zr  Zr20  1  0.712  0.335  0.857  1.0
  Zr  Zr21  1  0.212  0.143  0.835  1.0
  Zr  Zr22  1  0.212  0.357  0.665  1.0
  Zr  Zr23  1  0.712  0.165  0.643  1.0
  P  P24  1  0.963  0.544  0.791  1.0
  P  P25  1  0.463  0.209  0.044  1.0
  P  P26  1  0.463  0.291  0.456  1.0
  P  P27  1  0.963  0.956  0.709  1.0
  P  P28  1  0.037  0.456  0.209  1.0
  P  P29  1  0.537  0.791  0.956  1.0
  P  P30  1  0.537  0.709  0.544  1.0
  P  P31  1  0.037  0.044  0.291  1.0
[/CIF]
.
The crystal structure described by Zr3P crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted see-saw-like geometry to four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. In the third Zr site, Zr(3) is bonded in a distorted bent 150 degrees geometry to two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Zr(3), three equivalent Zr(2), and four equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   10.840
_cell_length_c   10.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.158
_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
  Zr  Zr0  1  0.529  0.113  0.277  1.0
  Zr  Zr1  1  0.029  0.723  0.613  1.0
  Zr  Zr2  1  0.029  0.777  0.887  1.0
  Zr  Zr3  1  0.529  0.387  0.223  1.0
  Zr  Zr4  1  0.471  0.887  0.723  1.0
  Zr  Zr5  1  0.971  0.277  0.387  1.0
  Zr  Zr6  1  0.971  0.223  0.113  1.0
  Zr  Zr7  1  0.471  0.613  0.777  1.0
  Zr  Zr8  1  0.235  0.070  0.535  1.0
  Zr  Zr9  1  0.735  0.465  0.570  1.0
  Zr  Zr10  1  0.735  0.035  0.930  1.0
  Zr  Zr11  1  0.235  0.430  0.965  1.0
  Zr  Zr12  1  0.765  0.930  0.465  1.0
  Zr  Zr13  1  0.265  0.535  0.430  1.0
  Zr  Zr14  1  0.265  0.965  0.070  1.0
  Zr  Zr15  1  0.765  0.570  0.035  1.0
  Zr  Zr16  1  0.288  0.665  0.143  1.0
  Zr  Zr17  1  0.788  0.857  0.165  1.0
  Zr  Zr18  1  0.788  0.643  0.335  1.0
  Zr  Zr19  1  0.288  0.835  0.357  1.0
  Zr  Zr20  1  0.712  0.335  0.857  1.0
  Zr  Zr21  1  0.212  0.143  0.835  1.0
  Zr  Zr22  1  0.212  0.357  0.665  1.0
  Zr  Zr23  1  0.712  0.165  0.643  1.0
  P  P24  1  0.963  0.544  0.791  1.0
  P  P25  1  0.463  0.209  0.044  1.0
  P  P26  1  0.463  0.291  0.456  1.0
  P  P27  1  0.963  0.956  0.709  1.0
  P  P28  1  0.037  0.456  0.209  1.0
  P  P29  1  0.537  0.791  0.956  1.0
  P  P30  1  0.537  0.709  0.544  1.0
  P  P31  1  0.037  0.044  0.291  1.0
[/CIF]
.