The crystal structure described by Li5MnP3O11 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(4)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 45°. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with three equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids 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, corners with three equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent O(10) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-69°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with three equivalent Li(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 63°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(4)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with three equivalent O(9)Li3P trigonal pyramids, and  an edgeedge with one O(4)Li3P trigonal pyramid. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid, corners with two equivalent O(8)Li3P trigonal pyramids, corners with three equivalent O(9)Li3P trigonal pyramids,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(1)Li2MnP trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(3) atom to form distorted OLi3P tetrahedra that share corners with three equivalent O(11)Li2MnP tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(9)Li3P trigonal pyramids, corners with three equivalent O(8)Li3P trigonal pyramids, and  an edgeedge with one O(4)Li3P trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid, and  an edgeedge with one O(11)Li2MnP tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with three equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(4)Li3P trigonal pyramids,  an edgeedge with one O(11)Li2MnP tetrahedra, and  an edgeedge with one O(9)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with three equivalent O(1)Li2MnP trigonal pyramids, corners with three equivalent O(4)Li3P trigonal pyramids, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(2), and one P(3) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with three equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  a cornercorner with one O(4)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(7)Li2MnP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. is represented by the CIF file [CIF]
data_Li5MnP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   8.575
_cell_length_c   9.634
_cell_angle_alpha   84.513
_cell_angle_beta   88.689
_cell_angle_gamma   84.347
_symmetry_Int_Tables_number   1
_cell_volume   440.020
_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
  Li  Li0  1  0.778  0.663  0.661  1.0
  Li  Li1  1  0.713  0.378  0.167  1.0
  Li  Li2  1  0.681  0.615  0.320  1.0
  Li  Li3  1  0.828  0.380  0.847  1.0
  Li  Li4  1  0.489  0.996  0.159  1.0
  Li  Li5  1  0.511  0.004  0.841  1.0
  Li  Li6  1  0.172  0.620  0.153  1.0
  Li  Li7  1  0.319  0.385  0.680  1.0
  Li  Li8  1  0.287  0.622  0.833  1.0
  Li  Li9  1  0.222  0.337  0.339  1.0
  Mn  Mn10  1  0.000  0.000  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.962  0.047  0.689  1.0
  P  P13  1  0.778  0.702  0.985  1.0
  P  P14  1  0.730  0.328  0.522  1.0
  P  P15  1  0.270  0.672  0.478  1.0
  P  P16  1  0.222  0.298  0.015  1.0
  P  P17  1  0.038  0.953  0.311  1.0
  O  O18  1  0.048  0.742  0.940  1.0
  O  O19  1  0.948  0.185  0.560  1.0
  O  O20  1  0.872  0.131  0.818  1.0
  O  O21  1  0.793  0.600  0.128  1.0
  O  O22  1  0.820  0.400  0.381  1.0
  O  O23  1  0.762  0.016  0.308  1.0
  O  O24  1  0.772  0.931  0.662  1.0
  O  O25  1  0.714  0.432  0.643  1.0
  O  O26  1  0.660  0.617  0.871  1.0
  O  O27  1  0.630  0.865  0.005  1.0
  O  O28  1  0.521  0.746  0.484  1.0
  O  O29  1  0.479  0.254  0.516  1.0
  O  O30  1  0.370  0.135  0.995  1.0
  O  O31  1  0.340  0.383  0.129  1.0
  O  O32  1  0.286  0.568  0.357  1.0
  O  O33  1  0.228  0.069  0.338  1.0
  O  O34  1  0.238  0.984  0.692  1.0
  O  O35  1  0.180  0.600  0.619  1.0
  O  O36  1  0.207  0.400  0.872  1.0
  O  O37  1  0.128  0.869  0.182  1.0
  O  O38  1  0.052  0.815  0.440  1.0
  O  O39  1  0.952  0.258  0.060  1.0
[/CIF]
.
The crystal structure described by Li5MnP3O11 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(4)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 45°. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with three equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids 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, corners with three equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent O(10) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 57-69°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with three equivalent Li(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 63°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(4)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with three equivalent O(9)Li3P trigonal pyramids, and  an edgeedge with one O(4)Li3P trigonal pyramid. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid, corners with two equivalent O(8)Li3P trigonal pyramids, corners with three equivalent O(9)Li3P trigonal pyramids,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(1)Li2MnP trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(3) atom to form distorted OLi3P tetrahedra that share corners with three equivalent O(11)Li2MnP tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(9)Li3P trigonal pyramids, corners with three equivalent O(8)Li3P trigonal pyramids, and  an edgeedge with one O(4)Li3P trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid, and  an edgeedge with one O(11)Li2MnP tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with three equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(1)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(4)Li3P trigonal pyramids,  an edgeedge with one O(11)Li2MnP tetrahedra, and  an edgeedge with one O(9)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with three equivalent O(1)Li2MnP trigonal pyramids, corners with three equivalent O(4)Li3P trigonal pyramids, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(2), and one P(3) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(11)Li2MnP tetrahedra, corners with three equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  a cornercorner with one O(4)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(7)Li2MnP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. is represented by the CIF file [CIF]
data_Li5MnP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   8.575
_cell_length_c   9.634
_cell_angle_alpha   84.513
_cell_angle_beta   88.689
_cell_angle_gamma   84.347
_symmetry_Int_Tables_number   1
_cell_volume   440.020
_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
  Li  Li0  1  0.778  0.663  0.661  1.0
  Li  Li1  1  0.713  0.378  0.167  1.0
  Li  Li2  1  0.681  0.615  0.320  1.0
  Li  Li3  1  0.828  0.380  0.847  1.0
  Li  Li4  1  0.489  0.996  0.159  1.0
  Li  Li5  1  0.511  0.004  0.841  1.0
  Li  Li6  1  0.172  0.620  0.153  1.0
  Li  Li7  1  0.319  0.385  0.680  1.0
  Li  Li8  1  0.287  0.622  0.833  1.0
  Li  Li9  1  0.222  0.337  0.339  1.0
  Mn  Mn10  1  0.000  0.000  0.000  1.0
  Mn  Mn11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.962  0.047  0.689  1.0
  P  P13  1  0.778  0.702  0.985  1.0
  P  P14  1  0.730  0.328  0.522  1.0
  P  P15  1  0.270  0.672  0.478  1.0
  P  P16  1  0.222  0.298  0.015  1.0
  P  P17  1  0.038  0.953  0.311  1.0
  O  O18  1  0.048  0.742  0.940  1.0
  O  O19  1  0.948  0.185  0.560  1.0
  O  O20  1  0.872  0.131  0.818  1.0
  O  O21  1  0.793  0.600  0.128  1.0
  O  O22  1  0.820  0.400  0.381  1.0
  O  O23  1  0.762  0.016  0.308  1.0
  O  O24  1  0.772  0.931  0.662  1.0
  O  O25  1  0.714  0.432  0.643  1.0
  O  O26  1  0.660  0.617  0.871  1.0
  O  O27  1  0.630  0.865  0.005  1.0
  O  O28  1  0.521  0.746  0.484  1.0
  O  O29  1  0.479  0.254  0.516  1.0
  O  O30  1  0.370  0.135  0.995  1.0
  O  O31  1  0.340  0.383  0.129  1.0
  O  O32  1  0.286  0.568  0.357  1.0
  O  O33  1  0.228  0.069  0.338  1.0
  O  O34  1  0.238  0.984  0.692  1.0
  O  O35  1  0.180  0.600  0.619  1.0
  O  O36  1  0.207  0.400  0.872  1.0
  O  O37  1  0.128  0.869  0.182  1.0
  O  O38  1  0.052  0.815  0.440  1.0
  O  O39  1  0.952  0.258  0.060  1.0
[/CIF]
.