The compound described by MgMn3(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) 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, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(2), and one Cu(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OMgMn2Cu2 square pyramids. is represented by the CIF card [CIF]
data_MgMn3(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   6.549
_cell_length_c   6.549
_cell_angle_alpha   53.227
_cell_angle_beta   63.166
_cell_angle_gamma   63.166
_symmetry_Int_Tables_number   1
_cell_volume   157.329
_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  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.253  0.747  1.0
  Mn  Mn3  1  1.000  0.747  0.253  1.0
  Cu  Cu4  1  0.496  0.250  0.250  1.0
  Cu  Cu5  1  0.504  0.750  0.750  1.0
  O  O6  1  0.946  0.906  0.906  1.0
  O  O7  1  0.054  0.094  0.094  1.0
  O  O8  1  0.050  0.595  0.595  1.0
  O  O9  1  0.950  0.405  0.405  1.0
  O  O10  1  0.570  0.862  0.370  1.0
  O  O11  1  0.570  0.370  0.862  1.0
  O  O12  1  0.430  0.631  0.138  1.0
  O  O13  1  0.430  0.138  0.631  1.0
[/CIF]
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The compound described by MgMn3(CuO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) 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, and edges with two equivalent Mn(2)O6 octahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(2), and one Cu(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OMgMn2Cu2 square pyramids. is represented by the CIF card [CIF]
data_MgMn3(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.305
_cell_length_b   6.549
_cell_length_c   6.549
_cell_angle_alpha   53.227
_cell_angle_beta   63.166
_cell_angle_gamma   63.166
_symmetry_Int_Tables_number   1
_cell_volume   157.329
_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  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.253  0.747  1.0
  Mn  Mn3  1  1.000  0.747  0.253  1.0
  Cu  Cu4  1  0.496  0.250  0.250  1.0
  Cu  Cu5  1  0.504  0.750  0.750  1.0
  O  O6  1  0.946  0.906  0.906  1.0
  O  O7  1  0.054  0.094  0.094  1.0
  O  O8  1  0.050  0.595  0.595  1.0
  O  O9  1  0.950  0.405  0.405  1.0
  O  O10  1  0.570  0.862  0.370  1.0
  O  O11  1  0.570  0.370  0.862  1.0
  O  O12  1  0.430  0.631  0.138  1.0
  O  O13  1  0.430  0.138  0.631  1.0
[/CIF]
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