The structure described by MgCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Cr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.918
_cell_length_c   5.956
_cell_angle_alpha   61.059
_cell_angle_beta   58.896
_cell_angle_gamma   61.264
_symmetry_Int_Tables_number   1
_cell_volume   149.214
_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  0.922  0.909  0.846  1.0
  Mn  Mn1  1  0.046  0.537  0.459  1.0
  Mn  Mn2  1  0.536  0.043  0.460  1.0
  Mn  Mn3  1  0.536  0.536  0.968  1.0
  Cr  Cr4  1  0.539  0.533  0.461  1.0
  O  O5  1  0.280  0.338  0.204  1.0
  O  O6  1  0.736  0.309  0.210  1.0
  O  O7  1  0.306  0.740  0.226  1.0
  O  O8  1  0.284  0.308  0.660  1.0
  O  O9  1  0.787  0.773  0.256  1.0
  O  O10  1  0.776  0.323  0.700  1.0
  O  O11  1  0.795  0.754  0.716  1.0
  O  O12  1  0.333  0.773  0.709  1.0
[/CIF]
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The structure described by MgCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Cr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.918
_cell_length_c   5.956
_cell_angle_alpha   61.059
_cell_angle_beta   58.896
_cell_angle_gamma   61.264
_symmetry_Int_Tables_number   1
_cell_volume   149.214
_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  0.922  0.909  0.846  1.0
  Mn  Mn1  1  0.046  0.537  0.459  1.0
  Mn  Mn2  1  0.536  0.043  0.460  1.0
  Mn  Mn3  1  0.536  0.536  0.968  1.0
  Cr  Cr4  1  0.539  0.533  0.461  1.0
  O  O5  1  0.280  0.338  0.204  1.0
  O  O6  1  0.736  0.309  0.210  1.0
  O  O7  1  0.306  0.740  0.226  1.0
  O  O8  1  0.284  0.308  0.660  1.0
  O  O9  1  0.787  0.773  0.256  1.0
  O  O10  1  0.776  0.323  0.700  1.0
  O  O11  1  0.795  0.754  0.716  1.0
  O  O12  1  0.333  0.773  0.709  1.0
[/CIF]
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