The crystal structure described by Li4Ge5O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with three equivalent Ge(2)O4 tetrahedra, corners with three equivalent Ge(4)O4 tetrahedra,  an edgeedge with one Ge(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ge(3)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Li site, Li(2) is bonded to one O(7), one O(9), two equivalent O(11), and two equivalent O(12) atoms to form LiO6 octahedra that share  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra, corners with two equivalent Ge(2)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ge(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ge(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Ge(5)O6 octahedra, and edges with three equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form GeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Ge(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Ge site, Ge(2) is bonded to one O(1), one O(10), one O(12), and one O(6) atom to form GeO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the third Ge site, Ge(3) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form GeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra,  an edgeedge with one Ge(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Ge site, Ge(4) is bonded to one O(1), one O(10), one O(11), and one O(3) atom to form GeO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fifth Ge site, Ge(5) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form GeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ge(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ge(2), and one Ge(4) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and two equivalent Ge(3) atoms to form OLi3Ge2 square pyramids that share  a cornercorner with one O(4)Li3Ge2 square pyramid, corners with two equivalent O(5)Li2Ge3 square pyramids,  an edgeedge with one O(5)Li2Ge3 square pyramid, edges with two equivalent O(2)Li3Ge2 square pyramids, and edges with two equivalent O(4)Li3Ge2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ge(3), and one Ge(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ge(1), and one Ge(3) atom to form OLi3Ge2 square pyramids that share  a cornercorner with one O(2)Li3Ge2 square pyramid, corners with two equivalent O(8)Li2Ge3 square pyramids,  an edgeedge with one O(8)Li2Ge3 square pyramid, edges with two equivalent O(5)Li2Ge3 square pyramids, and edges with two equivalent O(2)Li3Ge2 square pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ge(1), one Ge(3), and one Ge(5) atom to form OLi2Ge3 square pyramids that share  a cornercorner with one O(8)Li2Ge3 square pyramid, corners with two equivalent O(2)Li3Ge2 square pyramids,  an edgeedge with one O(2)Li3Ge2 square pyramid, edges with two equivalent O(8)Li2Ge3 square pyramids, and edges with two equivalent O(4)Li3Ge2 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ge(1), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Ge(3), and one Ge(5) atom. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Ge(5), and two equivalent Ge(1) atoms to form OLi2Ge3 square pyramids that share  a cornercorner with one O(5)Li2Ge3 square pyramid, corners with two equivalent O(4)Li3Ge2 square pyramids,  an edgeedge with one O(4)Li3Ge2 square pyramid, edges with two equivalent O(5)Li2Ge3 square pyramids, and edges with two equivalent O(8)Li2Ge3 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Ge(1), and one Ge(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Ge(2), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Ge(4), and one Ge(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Ge(2), and one Ge(5) atom. is represented by the CIF file [CIF]
data_Li4Ge5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   9.125
_cell_length_c   9.575
_cell_angle_alpha   73.118
_cell_angle_beta   78.251
_cell_angle_gamma   79.058
_symmetry_Int_Tables_number   1
_cell_volume   413.746
_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  0.686  0.232  0.444  1.0
  Li  Li1  1  0.314  0.768  0.556  1.0
  Li  Li2  1  0.272  0.907  0.023  1.0
  Li  Li3  1  0.728  0.093  0.977  1.0
  Li  Li4  1  0.866  0.591  0.594  1.0
  Li  Li5  1  0.134  0.409  0.406  1.0
  Li  Li6  1  0.346  0.577  0.112  1.0
  Li  Li7  1  0.654  0.423  0.888  1.0
  Ge  Ge8  1  0.881  0.405  0.149  1.0
  Ge  Ge9  1  0.119  0.595  0.851  1.0
  Ge  Ge10  1  0.733  0.903  0.730  1.0
  Ge  Ge11  1  0.267  0.097  0.270  1.0
  Ge  Ge12  1  0.589  0.580  0.354  1.0
  Ge  Ge13  1  0.411  0.420  0.646  1.0
  Ge  Ge14  1  0.815  0.901  0.320  1.0
  Ge  Ge15  1  0.185  0.099  0.680  1.0
  Ge  Ge16  1  0.810  0.747  0.064  1.0
  Ge  Ge17  1  0.190  0.253  0.936  1.0
  O  O18  1  0.104  0.933  0.375  1.0
  O  O19  1  0.896  0.067  0.625  1.0
  O  O20  1  0.265  0.568  0.484  1.0
  O  O21  1  0.735  0.432  0.516  1.0
  O  O22  1  0.318  0.263  0.568  1.0
  O  O23  1  0.682  0.737  0.432  1.0
  O  O24  1  0.447  0.580  0.730  1.0
  O  O25  1  0.553  0.420  0.270  1.0
  O  O26  1  0.053  0.430  0.776  1.0
  O  O27  1  0.947  0.570  0.224  1.0
  O  O28  1  0.951  0.740  0.697  1.0
  O  O29  1  0.049  0.260  0.303  1.0
  O  O30  1  0.515  0.270  0.812  1.0
  O  O31  1  0.485  0.730  0.188  1.0
  O  O32  1  0.234  0.422  0.014  1.0
  O  O33  1  0.766  0.578  0.986  1.0
  O  O34  1  0.149  0.733  0.951  1.0
  O  O35  1  0.851  0.267  0.049  1.0
  O  O36  1  0.428  0.934  0.658  1.0
  O  O37  1  0.572  0.066  0.342  1.0
  O  O38  1  0.103  0.099  0.866  1.0
  O  O39  1  0.897  0.901  0.134  1.0
  O  O40  1  0.348  0.099  0.084  1.0
  O  O41  1  0.652  0.901  0.916  1.0
[/CIF]
.
The crystal structure described by Li4Ge5O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with three equivalent Ge(2)O4 tetrahedra, corners with three equivalent Ge(4)O4 tetrahedra,  an edgeedge with one Ge(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ge(3)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Li site, Li(2) is bonded to one O(7), one O(9), two equivalent O(11), and two equivalent O(12) atoms to form LiO6 octahedra that share  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra, corners with two equivalent Ge(2)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ge(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ge(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(9), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Ge(5)O6 octahedra, and edges with three equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form GeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Ge(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Ge site, Ge(2) is bonded to one O(1), one O(10), one O(12), and one O(6) atom to form GeO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ge(1)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the third Ge site, Ge(3) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form GeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ge(1)O6 octahedra,  an edgeedge with one Ge(3)O6 octahedra,  an edgeedge with one Ge(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Ge site, Ge(4) is bonded to one O(1), one O(10), one O(11), and one O(3) atom to form GeO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ge(3)O6 octahedra,  a cornercorner with one Ge(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra, and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fifth Ge site, Ge(5) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form GeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra,  an edgeedge with one Ge(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ge(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Ge(2), and one Ge(4) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and two equivalent Ge(3) atoms to form OLi3Ge2 square pyramids that share  a cornercorner with one O(4)Li3Ge2 square pyramid, corners with two equivalent O(5)Li2Ge3 square pyramids,  an edgeedge with one O(5)Li2Ge3 square pyramid, edges with two equivalent O(2)Li3Ge2 square pyramids, and edges with two equivalent O(4)Li3Ge2 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ge(3), and one Ge(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ge(1), and one Ge(3) atom to form OLi3Ge2 square pyramids that share  a cornercorner with one O(2)Li3Ge2 square pyramid, corners with two equivalent O(8)Li2Ge3 square pyramids,  an edgeedge with one O(8)Li2Ge3 square pyramid, edges with two equivalent O(5)Li2Ge3 square pyramids, and edges with two equivalent O(2)Li3Ge2 square pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ge(1), one Ge(3), and one Ge(5) atom to form OLi2Ge3 square pyramids that share  a cornercorner with one O(8)Li2Ge3 square pyramid, corners with two equivalent O(2)Li3Ge2 square pyramids,  an edgeedge with one O(2)Li3Ge2 square pyramid, edges with two equivalent O(8)Li2Ge3 square pyramids, and edges with two equivalent O(4)Li3Ge2 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ge(1), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Ge(3), and one Ge(5) atom. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Ge(5), and two equivalent Ge(1) atoms to form OLi2Ge3 square pyramids that share  a cornercorner with one O(5)Li2Ge3 square pyramid, corners with two equivalent O(4)Li3Ge2 square pyramids,  an edgeedge with one O(4)Li3Ge2 square pyramid, edges with two equivalent O(5)Li2Ge3 square pyramids, and edges with two equivalent O(8)Li2Ge3 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Ge(1), and one Ge(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Ge(2), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Ge(4), and one Ge(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Ge(2), and one Ge(5) atom. is represented by the CIF file [CIF]
data_Li4Ge5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   9.125
_cell_length_c   9.575
_cell_angle_alpha   73.118
_cell_angle_beta   78.251
_cell_angle_gamma   79.058
_symmetry_Int_Tables_number   1
_cell_volume   413.746
_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  0.686  0.232  0.444  1.0
  Li  Li1  1  0.314  0.768  0.556  1.0
  Li  Li2  1  0.272  0.907  0.023  1.0
  Li  Li3  1  0.728  0.093  0.977  1.0
  Li  Li4  1  0.866  0.591  0.594  1.0
  Li  Li5  1  0.134  0.409  0.406  1.0
  Li  Li6  1  0.346  0.577  0.112  1.0
  Li  Li7  1  0.654  0.423  0.888  1.0
  Ge  Ge8  1  0.881  0.405  0.149  1.0
  Ge  Ge9  1  0.119  0.595  0.851  1.0
  Ge  Ge10  1  0.733  0.903  0.730  1.0
  Ge  Ge11  1  0.267  0.097  0.270  1.0
  Ge  Ge12  1  0.589  0.580  0.354  1.0
  Ge  Ge13  1  0.411  0.420  0.646  1.0
  Ge  Ge14  1  0.815  0.901  0.320  1.0
  Ge  Ge15  1  0.185  0.099  0.680  1.0
  Ge  Ge16  1  0.810  0.747  0.064  1.0
  Ge  Ge17  1  0.190  0.253  0.936  1.0
  O  O18  1  0.104  0.933  0.375  1.0
  O  O19  1  0.896  0.067  0.625  1.0
  O  O20  1  0.265  0.568  0.484  1.0
  O  O21  1  0.735  0.432  0.516  1.0
  O  O22  1  0.318  0.263  0.568  1.0
  O  O23  1  0.682  0.737  0.432  1.0
  O  O24  1  0.447  0.580  0.730  1.0
  O  O25  1  0.553  0.420  0.270  1.0
  O  O26  1  0.053  0.430  0.776  1.0
  O  O27  1  0.947  0.570  0.224  1.0
  O  O28  1  0.951  0.740  0.697  1.0
  O  O29  1  0.049  0.260  0.303  1.0
  O  O30  1  0.515  0.270  0.812  1.0
  O  O31  1  0.485  0.730  0.188  1.0
  O  O32  1  0.234  0.422  0.014  1.0
  O  O33  1  0.766  0.578  0.986  1.0
  O  O34  1  0.149  0.733  0.951  1.0
  O  O35  1  0.851  0.267  0.049  1.0
  O  O36  1  0.428  0.934  0.658  1.0
  O  O37  1  0.572  0.066  0.342  1.0
  O  O38  1  0.103  0.099  0.866  1.0
  O  O39  1  0.897  0.901  0.134  1.0
  O  O40  1  0.348  0.099  0.084  1.0
  O  O41  1  0.652  0.901  0.916  1.0
[/CIF]
.