The structure described by Li4Mn5Te3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-57°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the second Te site, Te(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 55-59°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(4), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), one Te(1), and one Te(2) atom to form distorted OLiMnTe2 tetrahedra that share corners with two equivalent O(7)LiMn2Te tetrahedra, corners with two equivalent O(8)LiMn2Te tetrahedra, and  a cornercorner with one O(10)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Mn(4), one Mn(5), and one Te(3) atom to form distorted OLiMn2Te tetrahedra that share corners with two equivalent O(12)LiMn2Te tetrahedra, corners with two equivalent O(15)LiMn3 tetrahedra, and  an edgeedge with one O(10)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(5), and one Te(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Mn(1), one Mn(2), and one Te(1) atom to form distorted OLiMn2Te tetrahedra that share  a cornercorner with one O(8)LiMn2Te tetrahedra, corners with two equivalent O(4)LiMnTe2 tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(8)LiMn2Te tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Mn(1), one Mn(2), and one Te(2) atom to form OLiMn2Te tetrahedra that share  a cornercorner with one O(7)LiMn2Te tetrahedra, corners with two equivalent O(4)LiMnTe2 tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(7)LiMn2Te tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(3), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(12)LiMn2Te tetrahedra,  a cornercorner with one O(7)LiMn2Te tetrahedra,  a cornercorner with one O(8)LiMn2Te tetrahedra,  a cornercorner with one O(4)LiMnTe2 tetrahedra, corners with two equivalent O(15)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn2Te tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Te(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(3), one Mn(5), and one Te(3) atom to form distorted OLiMn2Te tetrahedra that share  a cornercorner with one O(15)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn2Te tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(15)LiMn3 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(4), one Mn(5), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Te(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(12)LiMn2Te tetrahedra, corners with two equivalent O(5)LiMn2Te tetrahedra, corners with two equivalent O(10)LiMn3 trigonal pyramids, and  an edgeedge with one O(12)LiMn2Te tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn5Te3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   6.282
_cell_length_c   9.986
_cell_angle_alpha   89.578
_cell_angle_beta   89.394
_cell_angle_gamma   60.195
_symmetry_Int_Tables_number   1
_cell_volume   341.641
_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  0.347  0.341  0.871  1.0
  Li  Li1  1  0.005  0.003  0.995  1.0
  Li  Li2  1  0.997  0.007  0.504  1.0
  Li  Li3  1  0.692  0.676  0.397  1.0
  Mn  Mn4  1  0.316  0.319  0.507  1.0
  Mn  Mn5  1  0.170  0.164  0.215  1.0
  Mn  Mn6  1  0.643  0.666  0.990  1.0
  Mn  Mn7  1  0.830  0.336  0.715  1.0
  Mn  Mn8  1  0.335  0.831  0.715  1.0
  Te  Te9  1  0.663  0.167  0.216  1.0
  Te  Te10  1  0.172  0.656  0.218  1.0
  Te  Te11  1  0.830  0.830  0.715  1.0
  O  O12  1  0.688  0.136  0.607  1.0
  O  O13  1  0.510  0.466  0.330  1.0
  O  O14  1  0.367  0.319  0.101  1.0
  O  O15  1  0.966  0.018  0.321  1.0
  O  O16  1  0.982  0.983  0.816  1.0
  O  O17  1  0.136  0.691  0.606  1.0
  O  O18  1  0.510  0.035  0.332  1.0
  O  O19  1  0.045  0.481  0.344  1.0
  O  O20  1  0.812  0.871  0.103  1.0
  O  O21  1  0.151  0.145  0.615  1.0
  O  O22  1  0.965  0.535  0.829  1.0
  O  O23  1  0.531  0.967  0.826  1.0
  O  O24  1  0.685  0.683  0.602  1.0
  O  O25  1  0.818  0.305  0.103  1.0
  O  O26  1  0.523  0.527  0.817  1.0
  O  O27  1  0.310  0.840  0.095  1.0
[/CIF]
.
The structure described by Li4Mn5Te3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-57°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-51°. In the second Te site, Te(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 55-59°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TeO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(4), and one Te(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), one Te(1), and one Te(2) atom to form distorted OLiMnTe2 tetrahedra that share corners with two equivalent O(7)LiMn2Te tetrahedra, corners with two equivalent O(8)LiMn2Te tetrahedra, and  a cornercorner with one O(10)LiMn3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Mn(4), one Mn(5), and one Te(3) atom to form distorted OLiMn2Te tetrahedra that share corners with two equivalent O(12)LiMn2Te tetrahedra, corners with two equivalent O(15)LiMn3 tetrahedra, and  an edgeedge with one O(10)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(5), and one Te(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Mn(1), one Mn(2), and one Te(1) atom to form distorted OLiMn2Te tetrahedra that share  a cornercorner with one O(8)LiMn2Te tetrahedra, corners with two equivalent O(4)LiMnTe2 tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(8)LiMn2Te tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Mn(1), one Mn(2), and one Te(2) atom to form OLiMn2Te tetrahedra that share  a cornercorner with one O(7)LiMn2Te tetrahedra, corners with two equivalent O(4)LiMnTe2 tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(7)LiMn2Te tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(3), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(3), one Mn(1), one Mn(4), and one Mn(5) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(12)LiMn2Te tetrahedra,  a cornercorner with one O(7)LiMn2Te tetrahedra,  a cornercorner with one O(8)LiMn2Te tetrahedra,  a cornercorner with one O(4)LiMnTe2 tetrahedra, corners with two equivalent O(15)LiMn3 tetrahedra, and  an edgeedge with one O(5)LiMn2Te tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Te(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(3), one Mn(5), and one Te(3) atom to form distorted OLiMn2Te tetrahedra that share  a cornercorner with one O(15)LiMn3 tetrahedra, corners with two equivalent O(5)LiMn2Te tetrahedra,  a cornercorner with one O(10)LiMn3 trigonal pyramid, and  an edgeedge with one O(15)LiMn3 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(4), one Mn(5), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Te(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn3 tetrahedra that share  a cornercorner with one O(12)LiMn2Te tetrahedra, corners with two equivalent O(5)LiMn2Te tetrahedra, corners with two equivalent O(10)LiMn3 trigonal pyramids, and  an edgeedge with one O(12)LiMn2Te tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn5Te3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   6.282
_cell_length_c   9.986
_cell_angle_alpha   89.578
_cell_angle_beta   89.394
_cell_angle_gamma   60.195
_symmetry_Int_Tables_number   1
_cell_volume   341.641
_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  0.347  0.341  0.871  1.0
  Li  Li1  1  0.005  0.003  0.995  1.0
  Li  Li2  1  0.997  0.007  0.504  1.0
  Li  Li3  1  0.692  0.676  0.397  1.0
  Mn  Mn4  1  0.316  0.319  0.507  1.0
  Mn  Mn5  1  0.170  0.164  0.215  1.0
  Mn  Mn6  1  0.643  0.666  0.990  1.0
  Mn  Mn7  1  0.830  0.336  0.715  1.0
  Mn  Mn8  1  0.335  0.831  0.715  1.0
  Te  Te9  1  0.663  0.167  0.216  1.0
  Te  Te10  1  0.172  0.656  0.218  1.0
  Te  Te11  1  0.830  0.830  0.715  1.0
  O  O12  1  0.688  0.136  0.607  1.0
  O  O13  1  0.510  0.466  0.330  1.0
  O  O14  1  0.367  0.319  0.101  1.0
  O  O15  1  0.966  0.018  0.321  1.0
  O  O16  1  0.982  0.983  0.816  1.0
  O  O17  1  0.136  0.691  0.606  1.0
  O  O18  1  0.510  0.035  0.332  1.0
  O  O19  1  0.045  0.481  0.344  1.0
  O  O20  1  0.812  0.871  0.103  1.0
  O  O21  1  0.151  0.145  0.615  1.0
  O  O22  1  0.965  0.535  0.829  1.0
  O  O23  1  0.531  0.967  0.826  1.0
  O  O24  1  0.685  0.683  0.602  1.0
  O  O25  1  0.818  0.305  0.103  1.0
  O  O26  1  0.523  0.527  0.817  1.0
  O  O27  1  0.310  0.840  0.095  1.0
[/CIF]
.