The material described by MgMn3CoO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share 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. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.857
_cell_length_c   5.857
_cell_angle_alpha   59.664
_cell_angle_beta   63.535
_cell_angle_gamma   63.535
_symmetry_Int_Tables_number   1
_cell_volume   144.677
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.295  0.234  0.234  1.0
  O  O6  1  0.698  0.277  0.277  1.0
  O  O7  1  0.280  0.700  0.246  1.0
  O  O8  1  0.280  0.246  0.700  1.0
  O  O9  1  0.720  0.754  0.300  1.0
  O  O10  1  0.720  0.300  0.754  1.0
  O  O11  1  0.302  0.723  0.723  1.0
  O  O12  1  0.705  0.766  0.766  1.0
[/CIF]
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The material described by MgMn3CoO8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share 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. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.857
_cell_length_c   5.857
_cell_angle_alpha   59.664
_cell_angle_beta   63.535
_cell_angle_gamma   63.535
_symmetry_Int_Tables_number   1
_cell_volume   144.677
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.295  0.234  0.234  1.0
  O  O6  1  0.698  0.277  0.277  1.0
  O  O7  1  0.280  0.700  0.246  1.0
  O  O8  1  0.280  0.246  0.700  1.0
  O  O9  1  0.720  0.754  0.300  1.0
  O  O10  1  0.720  0.300  0.754  1.0
  O  O11  1  0.302  0.723  0.723  1.0
  O  O12  1  0.705  0.766  0.766  1.0
[/CIF]
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