The crystal structure described by MgMn3CuO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the third Mn site, Mn(3) 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 Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 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 Mn(3)O6 octahedra. There are four 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(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Cu(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(3), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.365
_cell_length_b   10.580
_cell_length_c   14.801
_cell_angle_alpha   19.250
_cell_angle_beta   18.943
_cell_angle_gamma   33.081
_symmetry_Int_Tables_number   1
_cell_volume   148.960
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Cu  Cu4  1  0.000  0.000  1.000  1.0
  O  O5  1  0.999  0.941  0.298  1.0
  O  O6  1  0.998  0.487  0.275  1.0
  O  O7  1  0.495  0.029  0.250  1.0
  O  O8  1  0.001  0.059  0.702  1.0
  O  O9  1  0.504  0.534  0.240  1.0
  O  O10  1  0.002  0.513  0.725  1.0
  O  O11  1  0.505  0.971  0.750  1.0
  O  O12  1  0.495  0.466  0.760  1.0
[/CIF]
.
The crystal structure described by MgMn3CuO8 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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(3)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the third Mn site, Mn(3) 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 Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 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 Mn(3)O6 octahedra. There are four 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(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Cu(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(3), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.365
_cell_length_b   10.580
_cell_length_c   14.801
_cell_angle_alpha   19.250
_cell_angle_beta   18.943
_cell_angle_gamma   33.081
_symmetry_Int_Tables_number   1
_cell_volume   148.960
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  Cu  Cu4  1  0.000  0.000  1.000  1.0
  O  O5  1  0.999  0.941  0.298  1.0
  O  O6  1  0.998  0.487  0.275  1.0
  O  O7  1  0.495  0.029  0.250  1.0
  O  O8  1  0.001  0.059  0.702  1.0
  O  O9  1  0.504  0.534  0.240  1.0
  O  O10  1  0.002  0.513  0.725  1.0
  O  O11  1  0.505  0.971  0.750  1.0
  O  O12  1  0.495  0.466  0.760  1.0
[/CIF]
.