The compound described by MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), 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 25-50°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(2), one V(3), and one V(5) atom to form edge-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(4), and one V(5) atom to form edge-sharing OMgV3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   10.865
_cell_length_c   9.648
_cell_angle_alpha   27.682
_cell_angle_beta   51.215
_cell_angle_gamma   57.047
_symmetry_Int_Tables_number   1
_cell_volume   201.938
_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  0.700  0.496  0.702  1.0
  V  V1  1  0.042  0.012  0.962  1.0
  V  V2  1  0.948  0.473  0.042  1.0
  V  V3  1  0.466  0.974  0.548  1.0
  V  V4  1  0.515  0.516  0.460  1.0
  V  V5  1  0.297  0.991  0.296  1.0
  O  O6  1  0.352  0.283  0.127  1.0
  O  O7  1  0.228  0.103  0.633  1.0
  O  O8  1  0.120  0.318  0.719  1.0
  O  O9  1  0.868  0.172  0.239  1.0
  O  O10  1  0.338  0.822  0.108  1.0
  O  O11  1  0.739  0.395  0.339  1.0
  O  O12  1  0.232  0.655  0.583  1.0
  O  O13  1  0.584  0.205  0.867  1.0
  O  O14  1  0.152  0.815  0.699  1.0
  O  O15  1  0.831  0.698  0.242  1.0
  O  O16  1  0.724  0.887  0.330  1.0
  O  O17  1  0.608  0.691  0.850  1.0
[/CIF]
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The compound described by MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), 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 25-50°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(2), one V(3), and one V(5) atom to form edge-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(4), and one V(5) atom to form edge-sharing OMgV3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one V(3), and one V(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   10.865
_cell_length_c   9.648
_cell_angle_alpha   27.682
_cell_angle_beta   51.215
_cell_angle_gamma   57.047
_symmetry_Int_Tables_number   1
_cell_volume   201.938
_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  0.700  0.496  0.702  1.0
  V  V1  1  0.042  0.012  0.962  1.0
  V  V2  1  0.948  0.473  0.042  1.0
  V  V3  1  0.466  0.974  0.548  1.0
  V  V4  1  0.515  0.516  0.460  1.0
  V  V5  1  0.297  0.991  0.296  1.0
  O  O6  1  0.352  0.283  0.127  1.0
  O  O7  1  0.228  0.103  0.633  1.0
  O  O8  1  0.120  0.318  0.719  1.0
  O  O9  1  0.868  0.172  0.239  1.0
  O  O10  1  0.338  0.822  0.108  1.0
  O  O11  1  0.739  0.395  0.339  1.0
  O  O12  1  0.232  0.655  0.583  1.0
  O  O13  1  0.584  0.205  0.867  1.0
  O  O14  1  0.152  0.815  0.699  1.0
  O  O15  1  0.831  0.698  0.242  1.0
  O  O16  1  0.724  0.887  0.330  1.0
  O  O17  1  0.608  0.691  0.850  1.0
[/CIF]
.