The material structure described by MgVSiO5 crystallizes in the monoclinic Cc space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgVSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   6.987
_cell_angle_alpha   75.611
_cell_angle_beta   75.611
_cell_angle_gamma   104.415
_symmetry_Int_Tables_number   1
_cell_volume   173.230
_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  0.826  0.168  0.766  1.0
  Mg  Mg1  1  0.168  0.826  0.266  1.0
  V  V2  1  0.501  0.500  0.508  1.0
  V  V3  1  0.500  0.501  0.008  1.0
  Si  Si4  1  0.175  0.826  0.756  1.0
  Si  Si5  1  0.826  0.175  0.256  1.0
  O  O6  1  0.403  0.831  0.877  1.0
  O  O7  1  0.165  0.593  0.636  1.0
  O  O8  1  0.593  0.165  0.136  1.0
  O  O9  1  0.831  0.403  0.377  1.0
  O  O10  1  0.771  0.873  0.421  1.0
  O  O11  1  0.134  0.221  0.098  1.0
  O  O12  1  0.221  0.134  0.598  1.0
  O  O13  1  0.873  0.771  0.921  1.0
  O  O14  1  0.419  0.585  0.256  1.0
  O  O15  1  0.585  0.419  0.756  1.0
[/CIF]
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The material structure described by MgVSiO5 crystallizes in the monoclinic Cc space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgVSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.292
_cell_length_c   6.987
_cell_angle_alpha   75.611
_cell_angle_beta   75.611
_cell_angle_gamma   104.415
_symmetry_Int_Tables_number   1
_cell_volume   173.230
_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  0.826  0.168  0.766  1.0
  Mg  Mg1  1  0.168  0.826  0.266  1.0
  V  V2  1  0.501  0.500  0.508  1.0
  V  V3  1  0.500  0.501  0.008  1.0
  Si  Si4  1  0.175  0.826  0.756  1.0
  Si  Si5  1  0.826  0.175  0.256  1.0
  O  O6  1  0.403  0.831  0.877  1.0
  O  O7  1  0.165  0.593  0.636  1.0
  O  O8  1  0.593  0.165  0.136  1.0
  O  O9  1  0.831  0.403  0.377  1.0
  O  O10  1  0.771  0.873  0.421  1.0
  O  O11  1  0.134  0.221  0.098  1.0
  O  O12  1  0.221  0.134  0.598  1.0
  O  O13  1  0.873  0.771  0.921  1.0
  O  O14  1  0.419  0.585  0.256  1.0
  O  O15  1  0.585  0.419  0.756  1.0
[/CIF]
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