The crystal structure described by Li6V3Ni(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(14), one O(19), one O(3), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(18), one O(20), and one O(22) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(15), one O(17), and one O(18) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Ni(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), and one P(4) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid,  a faceface with one O(18)Li3NiP square pyramid, and  a faceface with one O(22)Li3NiP square pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Ni(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one V(1), and one P(3) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Ni(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(6), one V(3), and one P(5) atom to form a mixture of distorted edge and corner-sharing OLi2VP trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Ni(1), and one P(5) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  an edgeedge with one O(17)Li2VP trigonal pyramid,  a faceface with one O(11)Li3NiP square pyramid, and  a faceface with one O(22)Li3NiP square pyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one V(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Ni(1), and one P(6) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  a faceface with one O(11)Li3NiP square pyramid, and  a faceface with one O(18)Li3NiP square pyramid. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li6V3Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.508
_cell_length_b   8.529
_cell_length_c   8.566
_cell_angle_alpha   62.070
_cell_angle_beta   62.053
_cell_angle_gamma   62.314
_symmetry_Int_Tables_number   1
_cell_volume   460.627
_cell_formula_units_Z   1
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
  Li  Li0  1  0.982  0.013  0.002  1.0
  Li  Li1  1  0.236  0.652  0.859  1.0
  Li  Li2  1  0.520  0.505  0.485  1.0
  Li  Li3  1  0.790  0.337  0.147  1.0
  Li  Li4  1  0.331  0.149  0.795  1.0
  Li  Li5  1  0.152  0.791  0.331  1.0
  V  V6  1  0.859  0.863  0.858  1.0
  V  V7  1  0.642  0.646  0.636  1.0
  V  V8  1  0.357  0.355  0.353  1.0
  Ni  Ni9  1  0.145  0.147  0.149  1.0
  P  P10  1  0.950  0.548  0.250  1.0
  P  P11  1  0.550  0.251  0.946  1.0
  P  P12  1  0.251  0.949  0.545  1.0
  P  P13  1  0.749  0.040  0.458  1.0
  P  P14  1  0.456  0.750  0.035  1.0
  P  P15  1  0.043  0.462  0.749  1.0
  O  O16  1  0.879  0.526  0.680  1.0
  O  O17  1  0.670  0.885  0.510  1.0
  O  O18  1  0.957  0.730  0.083  1.0
  O  O19  1  0.483  0.682  0.882  1.0
  O  O20  1  0.756  0.582  0.406  1.0
  O  O21  1  0.965  0.389  0.200  1.0
  O  O22  1  0.738  0.091  0.935  1.0
  O  O23  1  0.573  0.416  0.756  1.0
  O  O24  1  0.406  0.751  0.577  1.0
  O  O25  1  0.804  0.008  0.618  1.0
  O  O26  1  0.914  0.038  0.271  1.0
  O  O27  1  0.628  0.793  0.996  1.0
  O  O28  1  0.387  0.202  0.967  1.0
  O  O29  1  0.098  0.931  0.741  1.0
  O  O30  1  0.193  0.968  0.391  1.0
  O  O31  1  0.602  0.240  0.418  1.0
  O  O32  1  0.420  0.603  0.235  1.0
  O  O33  1  0.272  0.919  0.041  1.0
  O  O34  1  0.031  0.618  0.802  1.0
  O  O35  1  0.240  0.418  0.601  1.0
  O  O36  1  0.509  0.314  0.107  1.0
  O  O37  1  0.035  0.277  0.916  1.0
  O  O38  1  0.315  0.108  0.503  1.0
  O  O39  1  0.113  0.502  0.314  1.0
[/CIF]
.
The crystal structure described by Li6V3Ni(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(14), one O(19), one O(3), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(18), one O(20), and one O(22) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(15), one O(17), and one O(18) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third V site, V(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. Ni(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Ni(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Ni(1), and one P(4) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  a cornercorner with one O(17)Li2VP trigonal pyramid,  a faceface with one O(18)Li3NiP square pyramid, and  a faceface with one O(22)Li3NiP square pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Ni(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one V(1), and one P(3) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Ni(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one V(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(6), one V(3), and one P(5) atom to form a mixture of distorted edge and corner-sharing OLi2VP trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Ni(1), and one P(5) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  an edgeedge with one O(17)Li2VP trigonal pyramid,  a faceface with one O(11)Li3NiP square pyramid, and  a faceface with one O(22)Li3NiP square pyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one V(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(3) and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Ni(1), and one P(6) atom to form distorted OLi3NiP square pyramids that share  a cornercorner with one O(14)Li2VP trigonal pyramid,  a faceface with one O(11)Li3NiP square pyramid, and  a faceface with one O(18)Li3NiP square pyramid. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li6V3Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.508
_cell_length_b   8.529
_cell_length_c   8.566
_cell_angle_alpha   62.070
_cell_angle_beta   62.053
_cell_angle_gamma   62.314
_symmetry_Int_Tables_number   1
_cell_volume   460.627
_cell_formula_units_Z   1
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
  Li  Li0  1  0.982  0.013  0.002  1.0
  Li  Li1  1  0.236  0.652  0.859  1.0
  Li  Li2  1  0.520  0.505  0.485  1.0
  Li  Li3  1  0.790  0.337  0.147  1.0
  Li  Li4  1  0.331  0.149  0.795  1.0
  Li  Li5  1  0.152  0.791  0.331  1.0
  V  V6  1  0.859  0.863  0.858  1.0
  V  V7  1  0.642  0.646  0.636  1.0
  V  V8  1  0.357  0.355  0.353  1.0
  Ni  Ni9  1  0.145  0.147  0.149  1.0
  P  P10  1  0.950  0.548  0.250  1.0
  P  P11  1  0.550  0.251  0.946  1.0
  P  P12  1  0.251  0.949  0.545  1.0
  P  P13  1  0.749  0.040  0.458  1.0
  P  P14  1  0.456  0.750  0.035  1.0
  P  P15  1  0.043  0.462  0.749  1.0
  O  O16  1  0.879  0.526  0.680  1.0
  O  O17  1  0.670  0.885  0.510  1.0
  O  O18  1  0.957  0.730  0.083  1.0
  O  O19  1  0.483  0.682  0.882  1.0
  O  O20  1  0.756  0.582  0.406  1.0
  O  O21  1  0.965  0.389  0.200  1.0
  O  O22  1  0.738  0.091  0.935  1.0
  O  O23  1  0.573  0.416  0.756  1.0
  O  O24  1  0.406  0.751  0.577  1.0
  O  O25  1  0.804  0.008  0.618  1.0
  O  O26  1  0.914  0.038  0.271  1.0
  O  O27  1  0.628  0.793  0.996  1.0
  O  O28  1  0.387  0.202  0.967  1.0
  O  O29  1  0.098  0.931  0.741  1.0
  O  O30  1  0.193  0.968  0.391  1.0
  O  O31  1  0.602  0.240  0.418  1.0
  O  O32  1  0.420  0.603  0.235  1.0
  O  O33  1  0.272  0.919  0.041  1.0
  O  O34  1  0.031  0.618  0.802  1.0
  O  O35  1  0.240  0.418  0.601  1.0
  O  O36  1  0.509  0.314  0.107  1.0
  O  O37  1  0.035  0.277  0.916  1.0
  O  O38  1  0.315  0.108  0.503  1.0
  O  O39  1  0.113  0.502  0.314  1.0
[/CIF]
.