The material structure described by MgMn2CoO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. Co(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form OMgMn2Co trigonal pyramids that share corners with three equivalent O(5)Mg2Mn2Co square pyramids, corners with two equivalent O(1)MgMn2Co trigonal pyramids, and edges with two equivalent O(3)Mg2Mn3 square pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form OMg2Mn3 square pyramids that share corners with four equivalent O(5)Mg2Mn2Co square pyramids, edges with two equivalent O(5)Mg2Mn2Co square pyramids, edges with two equivalent O(3)Mg2Mn3 square pyramids, and edges with two equivalent O(1)MgMn2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Mg(1), two equivalent Mn(2), and one Co(1) atom to form OMg2Mn2Co square pyramids that share corners with four equivalent O(3)Mg2Mn3 square pyramids, corners with three equivalent O(1)MgMn2Co trigonal pyramids, edges with two equivalent O(5)Mg2Mn2Co square pyramids, and edges with two equivalent O(3)Mg2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMn2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.498
_cell_length_b   2.986
_cell_length_c   6.081
_cell_angle_alpha   85.970
_cell_angle_beta   101.671
_cell_angle_gamma   76.976
_symmetry_Int_Tables_number   1
_cell_volume   111.769
_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  0.652  0.674  0.158  1.0
  Mn  Mn1  1  0.015  0.008  0.990  1.0
  Mn  Mn2  1  0.675  0.666  0.657  1.0
  Co  Co3  1  0.311  0.311  0.360  1.0
  O  O4  1  0.996  0.494  0.197  1.0
  O  O5  1  0.362  0.803  0.573  1.0
  O  O6  1  0.696  0.194  0.917  1.0
  O  O7  1  0.320  0.825  0.123  1.0
  O  O8  1  0.654  0.138  0.405  1.0
  O  O9  1  0.992  0.545  0.778  1.0
[/CIF]
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The material structure described by MgMn2CoO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Mn site, Mn(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. Co(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and one Co(1) atom to form OMgMn2Co trigonal pyramids that share corners with three equivalent O(5)Mg2Mn2Co square pyramids, corners with two equivalent O(1)MgMn2Co trigonal pyramids, and edges with two equivalent O(3)Mg2Mn3 square pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form OMg2Mn3 square pyramids that share corners with four equivalent O(5)Mg2Mn2Co square pyramids, edges with two equivalent O(5)Mg2Mn2Co square pyramids, edges with two equivalent O(3)Mg2Mn3 square pyramids, and edges with two equivalent O(1)MgMn2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Mg(1), two equivalent Mn(2), and one Co(1) atom to form OMg2Mn2Co square pyramids that share corners with four equivalent O(3)Mg2Mn3 square pyramids, corners with three equivalent O(1)MgMn2Co trigonal pyramids, edges with two equivalent O(5)Mg2Mn2Co square pyramids, and edges with two equivalent O(3)Mg2Mn3 square pyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMn2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.498
_cell_length_b   2.986
_cell_length_c   6.081
_cell_angle_alpha   85.970
_cell_angle_beta   101.671
_cell_angle_gamma   76.976
_symmetry_Int_Tables_number   1
_cell_volume   111.769
_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  0.652  0.674  0.158  1.0
  Mn  Mn1  1  0.015  0.008  0.990  1.0
  Mn  Mn2  1  0.675  0.666  0.657  1.0
  Co  Co3  1  0.311  0.311  0.360  1.0
  O  O4  1  0.996  0.494  0.197  1.0
  O  O5  1  0.362  0.803  0.573  1.0
  O  O6  1  0.696  0.194  0.917  1.0
  O  O7  1  0.320  0.825  0.123  1.0
  O  O8  1  0.654  0.138  0.405  1.0
  O  O9  1  0.992  0.545  0.778  1.0
[/CIF]
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