The compound described by ZrCr5P3 crystallizes in the monoclinic P2_1/m space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Cr site, Cr(2) is bonded to one P(2) and three equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. In the third Cr site, Cr(3) is bonded to one P(1) and three equivalent P(3) atoms to form a mixture of corner and edge-sharing CrP4 tetrahedra. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1) and three equivalent P(2) atoms. In the fifth Cr site, Cr(5) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(3), one Cr(4), two equivalent Cr(1), and three equivalent Cr(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(2), one Cr(5), two equivalent Cr(1), and three equivalent Cr(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(1), three equivalent Cr(2), and three equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_ZrCr5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.654
_cell_length_b   6.888
_cell_length_c   9.355
_cell_angle_alpha   79.784
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.723
_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
  Zr  Zr0  1  0.750  0.808  0.779  1.0
  Zr  Zr1  1  0.250  0.192  0.221  1.0
  Cr  Cr2  1  0.750  0.314  0.723  1.0
  Cr  Cr3  1  0.250  0.459  0.925  1.0
  Cr  Cr4  1  0.250  0.085  0.916  1.0
  Cr  Cr5  1  0.750  0.915  0.084  1.0
  Cr  Cr6  1  0.250  0.373  0.491  1.0
  Cr  Cr7  1  0.750  0.627  0.509  1.0
  Cr  Cr8  1  0.750  0.135  0.494  1.0
  Cr  Cr9  1  0.250  0.865  0.506  1.0
  Cr  Cr10  1  0.750  0.541  0.075  1.0
  Cr  Cr11  1  0.250  0.686  0.277  1.0
  P  P12  1  0.750  0.908  0.332  1.0
  P  P13  1  0.250  0.092  0.668  1.0
  P  P14  1  0.750  0.437  0.324  1.0
  P  P15  1  0.250  0.563  0.676  1.0
  P  P16  1  0.750  0.247  0.987  1.0
  P  P17  1  0.250  0.753  0.013  1.0
[/CIF]
.
The compound described by ZrCr5P3 crystallizes in the monoclinic P2_1/m space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Cr site, Cr(2) is bonded to one P(2) and three equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing CrP4 tetrahedra. In the third Cr site, Cr(3) is bonded to one P(1) and three equivalent P(3) atoms to form a mixture of corner and edge-sharing CrP4 tetrahedra. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one P(1) and three equivalent P(2) atoms. In the fifth Cr site, Cr(5) is bonded in a 4-coordinate geometry to one P(2) and three equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(3), one Cr(4), two equivalent Cr(1), and three equivalent Cr(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(2), one Cr(5), two equivalent Cr(1), and three equivalent Cr(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Cr(1), three equivalent Cr(2), and three equivalent Cr(3) atoms. is represented by the CIF card [CIF]
data_ZrCr5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.654
_cell_length_b   6.888
_cell_length_c   9.355
_cell_angle_alpha   79.784
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.723
_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
  Zr  Zr0  1  0.750  0.808  0.779  1.0
  Zr  Zr1  1  0.250  0.192  0.221  1.0
  Cr  Cr2  1  0.750  0.314  0.723  1.0
  Cr  Cr3  1  0.250  0.459  0.925  1.0
  Cr  Cr4  1  0.250  0.085  0.916  1.0
  Cr  Cr5  1  0.750  0.915  0.084  1.0
  Cr  Cr6  1  0.250  0.373  0.491  1.0
  Cr  Cr7  1  0.750  0.627  0.509  1.0
  Cr  Cr8  1  0.750  0.135  0.494  1.0
  Cr  Cr9  1  0.250  0.865  0.506  1.0
  Cr  Cr10  1  0.750  0.541  0.075  1.0
  Cr  Cr11  1  0.250  0.686  0.277  1.0
  P  P12  1  0.750  0.908  0.332  1.0
  P  P13  1  0.250  0.092  0.668  1.0
  P  P14  1  0.750  0.437  0.324  1.0
  P  P15  1  0.250  0.563  0.676  1.0
  P  P16  1  0.750  0.247  0.987  1.0
  P  P17  1  0.250  0.753  0.013  1.0
[/CIF]
.