The crystal structure described by MgV6O15 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(8), and two equivalent O(14) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(9), and two equivalent O(12) atoms. In the second V site, V(2) is bonded to one O(11), one O(14), one O(15), one O(9), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(13) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(15) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(8), and two equivalent O(1) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), and two equivalent O(3) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(2) atom. In the fifteenth O site, O(15) is bonded to one V(2), one V(5), and two equivalent V(4) atoms to form distorted corner-sharing OV4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.977
_cell_length_b   7.977
_cell_length_c   10.400
_cell_angle_alpha   71.447
_cell_angle_beta   108.552
_cell_angle_gamma   153.087
_symmetry_Int_Tables_number   1
_cell_volume   283.056
_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  0.428  0.572  0.676  1.0
  V  V1  1  0.122  0.879  0.110  1.0
  V  V2  1  0.884  0.117  0.898  1.0
  V  V3  1  0.273  0.727  0.403  1.0
  V  V4  1  0.341  0.659  0.108  1.0
  V  V5  1  0.666  0.334  0.895  1.0
  V  V6  1  0.709  0.292  0.586  1.0
  O  O7  1  0.182  0.818  0.939  1.0
  O  O8  1  0.120  0.880  0.268  1.0
  O  O9  1  0.244  0.756  0.584  1.0
  O  O10  1  0.371  0.629  0.931  1.0
  O  O11  1  0.266  0.735  0.209  1.0
  O  O12  1  0.387  0.613  0.477  1.0
  O  O13  1  0.441  0.560  0.220  1.0
  O  O14  1  0.561  0.439  0.783  1.0
  O  O15  1  0.006  0.995  0.009  1.0
  O  O16  1  0.600  0.401  0.536  1.0
  O  O17  1  0.737  0.264  0.781  1.0
  O  O18  1  0.641  0.360  0.068  1.0
  O  O19  1  0.741  0.259  0.423  1.0
  O  O20  1  0.895  0.105  0.731  1.0
  O  O21  1  0.819  0.181  0.046  1.0
[/CIF]
.
The crystal structure described by MgV6O15 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(8), and two equivalent O(14) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(9), and two equivalent O(12) atoms. In the second V site, V(2) is bonded to one O(11), one O(14), one O(15), one O(9), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(13) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(15) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(8), and two equivalent O(1) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), and two equivalent O(3) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(2) atom. In the fifteenth O site, O(15) is bonded to one V(2), one V(5), and two equivalent V(4) atoms to form distorted corner-sharing OV4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.977
_cell_length_b   7.977
_cell_length_c   10.400
_cell_angle_alpha   71.447
_cell_angle_beta   108.552
_cell_angle_gamma   153.087
_symmetry_Int_Tables_number   1
_cell_volume   283.056
_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  0.428  0.572  0.676  1.0
  V  V1  1  0.122  0.879  0.110  1.0
  V  V2  1  0.884  0.117  0.898  1.0
  V  V3  1  0.273  0.727  0.403  1.0
  V  V4  1  0.341  0.659  0.108  1.0
  V  V5  1  0.666  0.334  0.895  1.0
  V  V6  1  0.709  0.292  0.586  1.0
  O  O7  1  0.182  0.818  0.939  1.0
  O  O8  1  0.120  0.880  0.268  1.0
  O  O9  1  0.244  0.756  0.584  1.0
  O  O10  1  0.371  0.629  0.931  1.0
  O  O11  1  0.266  0.735  0.209  1.0
  O  O12  1  0.387  0.613  0.477  1.0
  O  O13  1  0.441  0.560  0.220  1.0
  O  O14  1  0.561  0.439  0.783  1.0
  O  O15  1  0.006  0.995  0.009  1.0
  O  O16  1  0.600  0.401  0.536  1.0
  O  O17  1  0.737  0.264  0.781  1.0
  O  O18  1  0.641  0.360  0.068  1.0
  O  O19  1  0.741  0.259  0.423  1.0
  O  O20  1  0.895  0.105  0.731  1.0
  O  O21  1  0.819  0.181  0.046  1.0
[/CIF]
.