The compound described by MgTi3V5O16 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(14), one O(16), one O(3), and one O(5) atom to form MgO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. There are three inequivalent Ti sites. In the first Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the second Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-53°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. In the third V site, V(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 VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fourth V site, V(4) 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 distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth V site, V(5) 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 distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one V(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and one V(2) atom to form a mixture of edge and corner-sharing OMgTi2V trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Ti(3), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(3), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one V(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one V(3), and one V(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one V(4), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one V(2), and one V(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one V(3), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded to one Mg(1), one Ti(2), one V(2), and one V(3) atom to form a mixture of distorted edge and corner-sharing OMgTiV2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgTi3V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   5.961
_cell_length_c   9.429
_cell_angle_alpha   89.574
_cell_angle_beta   91.254
_cell_angle_gamma   120.595
_symmetry_Int_Tables_number   1
_cell_volume   286.357
_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
  Mg  Mg0  1  0.641  0.815  0.949  1.0
  Ti  Ti1  1  0.137  0.808  0.202  1.0
  Ti  Ti2  1  0.221  0.341  0.210  1.0
  Ti  Ti3  1  0.330  0.160  0.732  1.0
  V  V4  1  0.322  0.660  0.488  1.0
  V  V5  1  0.673  0.886  0.245  1.0
  V  V6  1  0.687  0.334  0.985  1.0
  V  V7  1  0.836  0.172  0.693  1.0
  V  V8  1  0.834  0.659  0.693  1.0
  O  O9  1  0.143  0.820  0.606  1.0
  O  O10  1  0.056  0.532  0.324  1.0
  O  O11  1  0.368  0.695  0.106  1.0
  O  O12  1  0.032  0.015  0.312  1.0
  O  O13  1  0.969  0.981  0.814  1.0
  O  O14  1  0.144  0.320  0.606  1.0
  O  O15  1  0.497  0.978  0.349  1.0
  O  O16  1  0.495  0.540  0.341  1.0
  O  O17  1  0.358  0.176  0.104  1.0
  O  O18  1  0.642  0.818  0.607  1.0
  O  O19  1  0.512  0.476  0.840  1.0
  O  O20  1  0.512  0.024  0.839  1.0
  O  O21  1  0.625  0.311  0.607  1.0
  O  O22  1  0.836  0.683  0.091  1.0
  O  O23  1  0.938  0.465  0.825  1.0
  O  O24  1  0.850  0.163  0.100  1.0
[/CIF]
.
The compound described by MgTi3V5O16 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(14), one O(16), one O(3), and one O(5) atom to form MgO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. There are three inequivalent Ti sites. In the first Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the second Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-53°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. In the third V site, V(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 VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fourth V site, V(4) 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 distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth V site, V(5) 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 distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one V(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and one V(2) atom to form a mixture of edge and corner-sharing OMgTi2V trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Ti(3), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(3), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one V(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one V(3), and one V(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one V(4), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one V(2), and one V(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one V(3), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded to one Mg(1), one Ti(2), one V(2), and one V(3) atom to form a mixture of distorted edge and corner-sharing OMgTiV2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgTi3V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   5.961
_cell_length_c   9.429
_cell_angle_alpha   89.574
_cell_angle_beta   91.254
_cell_angle_gamma   120.595
_symmetry_Int_Tables_number   1
_cell_volume   286.357
_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
  Mg  Mg0  1  0.641  0.815  0.949  1.0
  Ti  Ti1  1  0.137  0.808  0.202  1.0
  Ti  Ti2  1  0.221  0.341  0.210  1.0
  Ti  Ti3  1  0.330  0.160  0.732  1.0
  V  V4  1  0.322  0.660  0.488  1.0
  V  V5  1  0.673  0.886  0.245  1.0
  V  V6  1  0.687  0.334  0.985  1.0
  V  V7  1  0.836  0.172  0.693  1.0
  V  V8  1  0.834  0.659  0.693  1.0
  O  O9  1  0.143  0.820  0.606  1.0
  O  O10  1  0.056  0.532  0.324  1.0
  O  O11  1  0.368  0.695  0.106  1.0
  O  O12  1  0.032  0.015  0.312  1.0
  O  O13  1  0.969  0.981  0.814  1.0
  O  O14  1  0.144  0.320  0.606  1.0
  O  O15  1  0.497  0.978  0.349  1.0
  O  O16  1  0.495  0.540  0.341  1.0
  O  O17  1  0.358  0.176  0.104  1.0
  O  O18  1  0.642  0.818  0.607  1.0
  O  O19  1  0.512  0.476  0.840  1.0
  O  O20  1  0.512  0.024  0.839  1.0
  O  O21  1  0.625  0.311  0.607  1.0
  O  O22  1  0.836  0.683  0.091  1.0
  O  O23  1  0.938  0.465  0.825  1.0
  O  O24  1  0.850  0.163  0.100  1.0
[/CIF]
.