The compound described by Mg2V3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(3), one O(5), and one O(9) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(4), and one O(6) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(7), and one O(9) atom. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(8) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(14), one O(16), one O(6), one O(7), and one O(9) atom to form edge-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(7) atom to form edge-sharing VO6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(15), one O(4), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(13), one O(4), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the sixth V site, V(6) is bonded to one O(14), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form edge-sharing VO6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(4), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(2), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), one V(2), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(4), one V(1), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(3), one V(2), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the tenth O site, O(10) is bonded to one Mg(2), one Mg(4), one V(1), and one V(5) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(3), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OMg2V2 tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(4), one V(1), and one V(4) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(3), one V(1), and one V(5) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Mg(2), one Mg(4), one V(2), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(1), and one V(4) atom. In the sixteenth O site, O(16) is bonded to one Mg(2), one Mg(4), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OMg2V2 tetrahedra. is represented by the CIF file [CIF]
data_Mg2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.924
_cell_length_b   5.949
_cell_length_c   9.862
_cell_angle_alpha   90.077
_cell_angle_beta   83.299
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   286.895
_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  0.435  0.502  0.224  1.0
  Mg  Mg1  1  0.925  0.997  0.725  1.0
  Mg  Mg2  1  0.075  0.997  0.276  1.0
  Mg  Mg3  1  0.565  0.501  0.776  1.0
  V  V4  1  0.999  0.499  0.500  1.0
  V  V5  1  0.500  0.001  0.000  1.0
  V  V6  1  1.000  0.733  1.000  1.0
  V  V7  1  0.502  0.256  0.500  1.0
  V  V8  1  0.499  0.783  0.500  1.0
  V  V9  1  0.000  0.268  0.000  1.0
  O  O10  1  0.690  0.986  0.395  1.0
  O  O11  1  0.187  0.501  0.895  1.0
  O  O12  1  0.813  0.501  0.104  1.0
  O  O13  1  0.310  0.986  0.605  1.0
  O  O14  1  0.674  0.505  0.391  1.0
  O  O15  1  0.206  0.001  0.893  1.0
  O  O16  1  0.794  0.001  0.107  1.0
  O  O17  1  0.327  0.506  0.608  1.0
  O  O18  1  0.277  0.226  0.117  1.0
  O  O19  1  0.780  0.727  0.614  1.0
  O  O20  1  0.277  0.776  0.117  1.0
  O  O21  1  0.783  0.260  0.614  1.0
  O  O22  1  0.221  0.726  0.385  1.0
  O  O23  1  0.723  0.226  0.883  1.0
  O  O24  1  0.216  0.260  0.387  1.0
  O  O25  1  0.723  0.776  0.883  1.0
[/CIF]
.
The compound described by Mg2V3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(3), one O(5), and one O(9) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(4), and one O(6) atom. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(7), and one O(9) atom. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(8) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(14), one O(16), one O(6), one O(7), and one O(9) atom to form edge-sharing VO6 octahedra. In the third V site, V(3) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(7) atom to form edge-sharing VO6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(15), one O(4), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(13), one O(4), one O(5), and one O(8) atom to form edge-sharing VO6 octahedra. In the sixth V site, V(6) is bonded to one O(14), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form edge-sharing VO6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(4), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(2), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), one V(2), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(4), one V(1), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(3), one V(2), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the tenth O site, O(10) is bonded to one Mg(2), one Mg(4), one V(1), and one V(5) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the eleventh O site, O(11) is bonded to one Mg(1), one Mg(3), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OMg2V2 tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(4), one V(1), and one V(4) atom. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(3), one V(1), and one V(5) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Mg(2), one Mg(4), one V(2), and one V(6) atom to form a mixture of distorted edge and corner-sharing OMg2V2 tetrahedra. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(1), and one V(4) atom. In the sixteenth O site, O(16) is bonded to one Mg(2), one Mg(4), one V(2), and one V(3) atom to form a mixture of edge and corner-sharing OMg2V2 tetrahedra. is represented by the CIF file [CIF]
data_Mg2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.924
_cell_length_b   5.949
_cell_length_c   9.862
_cell_angle_alpha   90.077
_cell_angle_beta   83.299
_cell_angle_gamma   90.017
_symmetry_Int_Tables_number   1
_cell_volume   286.895
_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  0.435  0.502  0.224  1.0
  Mg  Mg1  1  0.925  0.997  0.725  1.0
  Mg  Mg2  1  0.075  0.997  0.276  1.0
  Mg  Mg3  1  0.565  0.501  0.776  1.0
  V  V4  1  0.999  0.499  0.500  1.0
  V  V5  1  0.500  0.001  0.000  1.0
  V  V6  1  1.000  0.733  1.000  1.0
  V  V7  1  0.502  0.256  0.500  1.0
  V  V8  1  0.499  0.783  0.500  1.0
  V  V9  1  0.000  0.268  0.000  1.0
  O  O10  1  0.690  0.986  0.395  1.0
  O  O11  1  0.187  0.501  0.895  1.0
  O  O12  1  0.813  0.501  0.104  1.0
  O  O13  1  0.310  0.986  0.605  1.0
  O  O14  1  0.674  0.505  0.391  1.0
  O  O15  1  0.206  0.001  0.893  1.0
  O  O16  1  0.794  0.001  0.107  1.0
  O  O17  1  0.327  0.506  0.608  1.0
  O  O18  1  0.277  0.226  0.117  1.0
  O  O19  1  0.780  0.727  0.614  1.0
  O  O20  1  0.277  0.776  0.117  1.0
  O  O21  1  0.783  0.260  0.614  1.0
  O  O22  1  0.221  0.726  0.385  1.0
  O  O23  1  0.723  0.226  0.883  1.0
  O  O24  1  0.216  0.260  0.387  1.0
  O  O25  1  0.723  0.776  0.883  1.0
[/CIF]
.