The crystal structure described by MgV3MnO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) 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(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.881
_cell_length_b   6.703
_cell_length_c   5.386
_cell_angle_alpha   90.461
_cell_angle_beta   88.947
_cell_angle_gamma   92.374
_symmetry_Int_Tables_number   1
_cell_volume   212.098
_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  0.412  0.130  0.489  1.0
  Mn  Mn1  1  0.907  0.847  0.498  1.0
  V  V2  1  0.091  0.127  0.002  1.0
  V  V3  1  0.412  0.637  0.502  1.0
  V  V4  1  0.592  0.391  0.997  1.0
  O  O5  1  0.114  0.076  0.323  1.0
  O  O6  1  0.122  0.626  0.463  1.0
  O  O7  1  0.367  0.186  0.857  1.0
  O  O8  1  0.504  0.608  0.823  1.0
  O  O9  1  0.514  0.395  0.346  1.0
  O  O10  1  0.572  0.876  0.429  1.0
  O  O11  1  0.901  0.315  0.957  1.0
  O  O12  1  0.981  0.921  0.862  1.0
[/CIF]
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The crystal structure described by MgV3MnO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) 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(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.881
_cell_length_b   6.703
_cell_length_c   5.386
_cell_angle_alpha   90.461
_cell_angle_beta   88.947
_cell_angle_gamma   92.374
_symmetry_Int_Tables_number   1
_cell_volume   212.098
_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  0.412  0.130  0.489  1.0
  Mn  Mn1  1  0.907  0.847  0.498  1.0
  V  V2  1  0.091  0.127  0.002  1.0
  V  V3  1  0.412  0.637  0.502  1.0
  V  V4  1  0.592  0.391  0.997  1.0
  O  O5  1  0.114  0.076  0.323  1.0
  O  O6  1  0.122  0.626  0.463  1.0
  O  O7  1  0.367  0.186  0.857  1.0
  O  O8  1  0.504  0.608  0.823  1.0
  O  O9  1  0.514  0.395  0.346  1.0
  O  O10  1  0.572  0.876  0.429  1.0
  O  O11  1  0.901  0.315  0.957  1.0
  O  O12  1  0.981  0.921  0.862  1.0
[/CIF]
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