The material structure described by Mg2V3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(14), one O(15), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Mg site, Mg(2) is bonded to one O(10), one O(12), one O(13), one O(16), one O(6), and one O(7) atom to form MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Mg(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Mg site, Mg(3) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form MgO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(14), one O(15), and one O(3) atom to form MgO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(16), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(15), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(1), one O(12), one O(13), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth V site, V(4) is bonded to one O(1), one O(13), one O(16), one O(3), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fifth V site, V(5) is bonded to one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the sixth V site, V(6) is bonded to one O(10), one O(11), one O(14), one O(2), one O(4), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(6) atom. In the third O site, O(3) is bonded to one Mg(4), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(3), one V(2), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one V(6) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(4), one V(2), and one V(6) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(14)Mg2V2 tetrahedra,  a cornercorner with one O(15)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(14)Mg2V2 tetrahedra,  an edgeedge with one O(15)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Mg(2), one Mg(3), one V(1), and one V(3) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(13)Mg2V2 tetrahedra,  a cornercorner with one O(16)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(13)Mg2V2 tetrahedra,  an edgeedge with one O(16)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mg(2), one Mg(3), one V(3), and one V(4) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(12)Mg2V2 tetrahedra,  a cornercorner with one O(16)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(12)Mg2V2 tetrahedra,  an edgeedge with one O(16)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mg(1), one Mg(4), one V(5), and one V(6) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(11)Mg2V2 tetrahedra,  a cornercorner with one O(15)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(11)Mg2V2 tetrahedra,  an edgeedge with one O(15)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mg(1), one Mg(4), one V(2), and one V(5) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(11)Mg2V2 tetrahedra,  a cornercorner with one O(14)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(11)Mg2V2 tetrahedra,  an edgeedge with one O(14)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Mg(2), one Mg(3), one V(1), and one V(4) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(12)Mg2V2 tetrahedra,  a cornercorner with one O(13)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(12)Mg2V2 tetrahedra,  an edgeedge with one O(13)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.919
_cell_length_c   9.517
_cell_angle_alpha   89.924
_cell_angle_beta   90.045
_cell_angle_gamma   119.979
_symmetry_Int_Tables_number   1
_cell_volume   288.538
_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
  Mg  Mg0  1  0.667  0.334  0.022  1.0
  Mg  Mg1  1  0.333  0.666  0.523  1.0
  Mg  Mg2  1  0.667  0.333  0.421  1.0
  Mg  Mg3  1  0.333  0.666  0.922  1.0
  V  V4  1  0.164  0.327  0.244  1.0
  V  V5  1  0.835  0.673  0.744  1.0
  V  V6  1  0.162  0.836  0.244  1.0
  V  V7  1  0.674  0.838  0.245  1.0
  V  V8  1  0.838  0.164  0.745  1.0
  V  V9  1  0.326  0.161  0.744  1.0
  O  O10  1  0.001  0.001  0.353  1.0
  O  O11  1  1.000  0.999  0.853  1.0
  O  O12  1  0.333  0.667  0.132  1.0
  O  O13  1  0.666  0.333  0.632  1.0
  O  O14  1  0.822  0.150  0.146  1.0
  O  O15  1  0.673  0.822  0.646  1.0
  O  O16  1  0.149  0.326  0.646  1.0
  O  O17  1  0.852  0.676  0.145  1.0
  O  O18  1  0.328  0.179  0.146  1.0
  O  O19  1  0.177  0.850  0.646  1.0
  O  O20  1  0.506  0.469  0.864  1.0
  O  O21  1  0.038  0.507  0.365  1.0
  O  O22  1  0.469  0.962  0.365  1.0
  O  O23  1  0.531  0.037  0.865  1.0
  O  O24  1  0.963  0.493  0.865  1.0
  O  O25  1  0.495  0.532  0.365  1.0
[/CIF]
.
The material structure described by Mg2V3O8 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(11), one O(14), one O(15), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Mg site, Mg(2) is bonded to one O(10), one O(12), one O(13), one O(16), one O(6), and one O(7) atom to form MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Mg(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Mg site, Mg(3) is bonded to one O(12), one O(13), one O(16), and one O(4) atom to form MgO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(14), one O(15), and one O(3) atom to form MgO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, and corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(16), one O(3), one O(5), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(15), one O(2), one O(4), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(1), one O(12), one O(13), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fourth V site, V(4) is bonded to one O(1), one O(13), one O(16), one O(3), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Mg(4)O4 tetrahedra, corners with two equivalent Mg(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the fifth V site, V(5) is bonded to one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the sixth V site, V(6) is bonded to one O(10), one O(11), one O(14), one O(2), one O(4), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(6) atom. In the third O site, O(3) is bonded to one Mg(4), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(3), one V(2), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(2), and one V(6) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(4), one V(2), and one V(6) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(14)Mg2V2 tetrahedra,  a cornercorner with one O(15)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(14)Mg2V2 tetrahedra,  an edgeedge with one O(15)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Mg(2), one Mg(3), one V(1), and one V(3) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(13)Mg2V2 tetrahedra,  a cornercorner with one O(16)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(13)Mg2V2 tetrahedra,  an edgeedge with one O(16)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mg(2), one Mg(3), one V(3), and one V(4) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(12)Mg2V2 tetrahedra,  a cornercorner with one O(16)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(12)Mg2V2 tetrahedra,  an edgeedge with one O(16)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mg(1), one Mg(4), one V(5), and one V(6) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(11)Mg2V2 tetrahedra,  a cornercorner with one O(15)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(11)Mg2V2 tetrahedra,  an edgeedge with one O(15)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Mg(1), one Mg(4), one V(2), and one V(5) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(11)Mg2V2 tetrahedra,  a cornercorner with one O(14)Mg2V2 tetrahedra,  a cornercorner with one O(3)MgV3 trigonal pyramid,  an edgeedge with one O(11)Mg2V2 tetrahedra,  an edgeedge with one O(14)Mg2V2 tetrahedra, and  an edgeedge with one O(4)MgV3 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Mg(2), one Mg(3), one V(1), and one V(4) atom to form distorted OMg2V2 tetrahedra that share  a cornercorner with one O(12)Mg2V2 tetrahedra,  a cornercorner with one O(13)Mg2V2 tetrahedra,  a cornercorner with one O(4)MgV3 trigonal pyramid,  an edgeedge with one O(12)Mg2V2 tetrahedra,  an edgeedge with one O(13)Mg2V2 tetrahedra, and  an edgeedge with one O(3)MgV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.919
_cell_length_c   9.517
_cell_angle_alpha   89.924
_cell_angle_beta   90.045
_cell_angle_gamma   119.979
_symmetry_Int_Tables_number   1
_cell_volume   288.538
_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
  Mg  Mg0  1  0.667  0.334  0.022  1.0
  Mg  Mg1  1  0.333  0.666  0.523  1.0
  Mg  Mg2  1  0.667  0.333  0.421  1.0
  Mg  Mg3  1  0.333  0.666  0.922  1.0
  V  V4  1  0.164  0.327  0.244  1.0
  V  V5  1  0.835  0.673  0.744  1.0
  V  V6  1  0.162  0.836  0.244  1.0
  V  V7  1  0.674  0.838  0.245  1.0
  V  V8  1  0.838  0.164  0.745  1.0
  V  V9  1  0.326  0.161  0.744  1.0
  O  O10  1  0.001  0.001  0.353  1.0
  O  O11  1  1.000  0.999  0.853  1.0
  O  O12  1  0.333  0.667  0.132  1.0
  O  O13  1  0.666  0.333  0.632  1.0
  O  O14  1  0.822  0.150  0.146  1.0
  O  O15  1  0.673  0.822  0.646  1.0
  O  O16  1  0.149  0.326  0.646  1.0
  O  O17  1  0.852  0.676  0.145  1.0
  O  O18  1  0.328  0.179  0.146  1.0
  O  O19  1  0.177  0.850  0.646  1.0
  O  O20  1  0.506  0.469  0.864  1.0
  O  O21  1  0.038  0.507  0.365  1.0
  O  O22  1  0.469  0.962  0.365  1.0
  O  O23  1  0.531  0.037  0.865  1.0
  O  O24  1  0.963  0.493  0.865  1.0
  O  O25  1  0.495  0.532  0.365  1.0
[/CIF]
.