The compound described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. Mn(1) 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 MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) 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 distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) 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 CIF card [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   10.797
_cell_length_c   9.463
_cell_angle_alpha   28.218
_cell_angle_beta   49.100
_cell_angle_gamma   55.318
_symmetry_Int_Tables_number   1
_cell_volume   199.826
_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  0.790  0.009  0.777  1.0
  Mn  Mn1  1  0.307  1.000  0.297  1.0
  V  V2  1  0.029  0.022  0.967  1.0
  V  V3  1  0.990  0.481  0.011  1.0
  V  V4  1  0.517  0.972  0.527  1.0
  V  V5  1  0.498  0.515  0.481  1.0
  O  O6  1  0.349  0.285  0.122  1.0
  O  O7  1  0.223  0.103  0.627  1.0
  O  O8  1  0.120  0.304  0.731  1.0
  O  O9  1  0.891  0.161  0.245  1.0
  O  O10  1  0.344  0.824  0.103  1.0
  O  O11  1  0.734  0.377  0.354  1.0
  O  O12  1  0.216  0.654  0.593  1.0
  O  O13  1  0.589  0.171  0.879  1.0
  O  O14  1  0.119  0.825  0.710  1.0
  O  O15  1  0.827  0.699  0.223  1.0
  O  O16  1  0.700  0.892  0.343  1.0
  O  O17  1  0.605  0.693  0.854  1.0
[/CIF]
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The compound described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. Mn(1) 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 MnO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) 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 distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) 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 CIF card [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   10.797
_cell_length_c   9.463
_cell_angle_alpha   28.218
_cell_angle_beta   49.100
_cell_angle_gamma   55.318
_symmetry_Int_Tables_number   1
_cell_volume   199.826
_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  0.790  0.009  0.777  1.0
  Mn  Mn1  1  0.307  1.000  0.297  1.0
  V  V2  1  0.029  0.022  0.967  1.0
  V  V3  1  0.990  0.481  0.011  1.0
  V  V4  1  0.517  0.972  0.527  1.0
  V  V5  1  0.498  0.515  0.481  1.0
  O  O6  1  0.349  0.285  0.122  1.0
  O  O7  1  0.223  0.103  0.627  1.0
  O  O8  1  0.120  0.304  0.731  1.0
  O  O9  1  0.891  0.161  0.245  1.0
  O  O10  1  0.344  0.824  0.103  1.0
  O  O11  1  0.734  0.377  0.354  1.0
  O  O12  1  0.216  0.654  0.593  1.0
  O  O13  1  0.589  0.171  0.879  1.0
  O  O14  1  0.119  0.825  0.710  1.0
  O  O15  1  0.827  0.699  0.223  1.0
  O  O16  1  0.700  0.892  0.343  1.0
  O  O17  1  0.605  0.693  0.854  1.0
[/CIF]
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