The crystal structure described by MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(5) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(5) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   5.100
_cell_length_c   8.979
_cell_angle_alpha   85.166
_cell_angle_beta   91.141
_cell_angle_gamma   67.864
_symmetry_Int_Tables_number   1
_cell_volume   212.332
_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  0.271  0.954  0.941  1.0
  V  V1  1  0.063  0.073  0.267  1.0
  V  V2  1  0.976  0.557  0.988  1.0
  V  V3  1  0.491  0.953  0.518  1.0
  V  V4  1  0.428  0.438  0.241  1.0
  V  V5  1  0.593  0.494  0.742  1.0
  O  O6  1  0.911  0.285  0.858  1.0
  O  O7  1  0.278  0.898  0.651  1.0
  O  O8  1  0.219  0.292  0.384  1.0
  O  O9  1  0.278  0.212  0.110  1.0
  O  O10  1  0.304  0.561  0.872  1.0
  O  O11  1  0.552  0.257  0.634  1.0
  O  O12  1  0.388  0.763  0.367  1.0
  O  O13  1  0.741  0.437  0.147  1.0
  O  O14  1  0.681  0.823  0.897  1.0
  O  O15  1  0.788  0.660  0.597  1.0
  O  O16  1  0.754  0.080  0.360  1.0
  O  O17  1  0.126  0.766  0.126  1.0
[/CIF]
.
The crystal structure described by MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(5), and one O(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(5) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(5) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.031
_cell_length_b   5.100
_cell_length_c   8.979
_cell_angle_alpha   85.166
_cell_angle_beta   91.141
_cell_angle_gamma   67.864
_symmetry_Int_Tables_number   1
_cell_volume   212.332
_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  0.271  0.954  0.941  1.0
  V  V1  1  0.063  0.073  0.267  1.0
  V  V2  1  0.976  0.557  0.988  1.0
  V  V3  1  0.491  0.953  0.518  1.0
  V  V4  1  0.428  0.438  0.241  1.0
  V  V5  1  0.593  0.494  0.742  1.0
  O  O6  1  0.911  0.285  0.858  1.0
  O  O7  1  0.278  0.898  0.651  1.0
  O  O8  1  0.219  0.292  0.384  1.0
  O  O9  1  0.278  0.212  0.110  1.0
  O  O10  1  0.304  0.561  0.872  1.0
  O  O11  1  0.552  0.257  0.634  1.0
  O  O12  1  0.388  0.763  0.367  1.0
  O  O13  1  0.741  0.437  0.147  1.0
  O  O14  1  0.681  0.823  0.897  1.0
  O  O15  1  0.788  0.660  0.597  1.0
  O  O16  1  0.754  0.080  0.360  1.0
  O  O17  1  0.126  0.766  0.126  1.0
[/CIF]
.