The material structure described by Mg2Cu9O13 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth Cu site, Cu(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Cu(5), two equivalent Cu(1), and three equivalent Cu(3) atoms to form OCu6 octahedra that share corners with two equivalent O(7)Cu6 octahedra, corners with two equivalent O(6)Cu5 square pyramids,  a cornercorner with one O(2)Mg2Cu2 tetrahedra,  a cornercorner with one O(5)Mg2Cu3 trigonal bipyramid, edges with five equivalent O(7)Cu6 octahedra, edges with five equivalent O(6)Cu5 square pyramids, and edges with two equivalent O(5)Mg2Cu3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Cu(4) and four equivalent Cu(2) atoms to form OCu6 octahedra that share corners with four equivalent O(3)Cu5 square pyramids, corners with two equivalent O(2)Mg2Cu2 tetrahedra, edges with two equivalent O(1)Cu6 octahedra, edges with six equivalent O(3)Cu5 square pyramids, and edges with four equivalent O(4)Mg2Cu3 trigonal bipyramids. In the third O site, O(2) is bonded to two equivalent Mg(1), one Cu(4), and one Cu(5) atom to form OMg2Cu2 tetrahedra that share  a cornercorner with one O(1)Cu6 octahedra,  a cornercorner with one O(7)Cu6 octahedra, corners with two equivalent O(3)Cu5 square pyramids, corners with two equivalent O(6)Cu5 square pyramids, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with four equivalent O(4)Mg2Cu3 trigonal bipyramids, corners with four equivalent O(5)Mg2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid, and  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the fourth O site, O(3) is bonded to two equivalent Cu(4) and three equivalent Cu(2) atoms to form OCu5 square pyramids that share corners with two equivalent O(1)Cu6 octahedra, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with five equivalent O(4)Mg2Cu3 trigonal bipyramids, edges with three equivalent O(1)Cu6 octahedra, edges with four equivalent O(3)Cu5 square pyramids, and  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(4) is bonded to two equivalent Mg(1), one Cu(2), and two equivalent Cu(4) atoms to form distorted OMg2Cu3 trigonal bipyramids that share corners with five equivalent O(3)Cu5 square pyramids, corners with four equivalent O(2)Mg2Cu2 tetrahedra, corners with two equivalent O(5)Mg2Cu3 trigonal bipyramids, edges with two equivalent O(1)Cu6 octahedra,  an edgeedge with one O(3)Cu5 square pyramid,  an edgeedge with one O(2)Mg2Cu2 tetrahedra,  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid, and edges with two equivalent O(4)Mg2Cu3 trigonal bipyramids. In the sixth O site, O(5) is bonded to two equivalent Mg(1), one Cu(3), and two equivalent Cu(5) atoms to form distorted OMg2Cu3 trigonal bipyramids that share  a cornercorner with one O(7)Cu6 octahedra, corners with four equivalent O(6)Cu5 square pyramids, corners with four equivalent O(2)Mg2Cu2 tetrahedra, corners with two equivalent O(4)Mg2Cu3 trigonal bipyramids, edges with two equivalent O(7)Cu6 octahedra,  an edgeedge with one O(6)Cu5 square pyramid,  an edgeedge with one O(2)Mg2Cu2 tetrahedra,  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid, and edges with two equivalent O(5)Mg2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(6) is bonded to one Cu(1), two equivalent Cu(3), and two equivalent Cu(5) atoms to form OCu5 square pyramids that share corners with two equivalent O(7)Cu6 octahedra,  a cornercorner with one O(6)Cu5 square pyramid, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with four equivalent O(5)Mg2Cu3 trigonal bipyramids, edges with five equivalent O(7)Cu6 octahedra, edges with two equivalent O(6)Cu5 square pyramids, and  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF file [CIF]
data_Mg2Cu9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   16.220
_cell_angle_alpha   81.907
_cell_angle_beta   81.907
_cell_angle_gamma   33.412
_symmetry_Int_Tables_number   1
_cell_volume   232.934
_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  0.785  0.785  0.228  1.0
  Mg  Mg1  1  0.215  0.215  0.772  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.355  0.355  0.041  1.0
  Cu  Cu4  1  0.645  0.645  0.959  1.0
  Cu  Cu5  1  0.250  0.250  0.418  1.0
  Cu  Cu6  1  0.750  0.750  0.582  1.0
  Cu  Cu7  1  0.065  0.065  0.124  1.0
  Cu  Cu8  1  0.935  0.935  0.876  1.0
  Cu  Cu9  1  0.008  0.008  0.331  1.0
  Cu  Cu10  1  0.992  0.992  0.669  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.142  0.142  0.227  1.0
  O  O13  1  0.858  0.858  0.773  1.0
  O  O14  1  0.701  0.701  0.071  1.0
  O  O15  1  0.299  0.299  0.929  1.0
  O  O16  1  0.416  0.416  0.146  1.0
  O  O17  1  0.584  0.584  0.854  1.0
  O  O18  1  0.370  0.370  0.315  1.0
  O  O19  1  0.630  0.630  0.685  1.0
  O  O20  1  0.609  0.609  0.388  1.0
  O  O21  1  0.391  0.391  0.612  1.0
  O  O22  1  0.868  0.868  0.470  1.0
  O  O23  1  0.132  0.132  0.530  1.0
[/CIF]
.
The material structure described by Mg2Cu9O13 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Cu site, Cu(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth Cu site, Cu(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Cu(5), two equivalent Cu(1), and three equivalent Cu(3) atoms to form OCu6 octahedra that share corners with two equivalent O(7)Cu6 octahedra, corners with two equivalent O(6)Cu5 square pyramids,  a cornercorner with one O(2)Mg2Cu2 tetrahedra,  a cornercorner with one O(5)Mg2Cu3 trigonal bipyramid, edges with five equivalent O(7)Cu6 octahedra, edges with five equivalent O(6)Cu5 square pyramids, and edges with two equivalent O(5)Mg2Cu3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Cu(4) and four equivalent Cu(2) atoms to form OCu6 octahedra that share corners with four equivalent O(3)Cu5 square pyramids, corners with two equivalent O(2)Mg2Cu2 tetrahedra, edges with two equivalent O(1)Cu6 octahedra, edges with six equivalent O(3)Cu5 square pyramids, and edges with four equivalent O(4)Mg2Cu3 trigonal bipyramids. In the third O site, O(2) is bonded to two equivalent Mg(1), one Cu(4), and one Cu(5) atom to form OMg2Cu2 tetrahedra that share  a cornercorner with one O(1)Cu6 octahedra,  a cornercorner with one O(7)Cu6 octahedra, corners with two equivalent O(3)Cu5 square pyramids, corners with two equivalent O(6)Cu5 square pyramids, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with four equivalent O(4)Mg2Cu3 trigonal bipyramids, corners with four equivalent O(5)Mg2Cu3 trigonal bipyramids,  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid, and  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the fourth O site, O(3) is bonded to two equivalent Cu(4) and three equivalent Cu(2) atoms to form OCu5 square pyramids that share corners with two equivalent O(1)Cu6 octahedra, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with five equivalent O(4)Mg2Cu3 trigonal bipyramids, edges with three equivalent O(1)Cu6 octahedra, edges with four equivalent O(3)Cu5 square pyramids, and  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(4) is bonded to two equivalent Mg(1), one Cu(2), and two equivalent Cu(4) atoms to form distorted OMg2Cu3 trigonal bipyramids that share corners with five equivalent O(3)Cu5 square pyramids, corners with four equivalent O(2)Mg2Cu2 tetrahedra, corners with two equivalent O(5)Mg2Cu3 trigonal bipyramids, edges with two equivalent O(1)Cu6 octahedra,  an edgeedge with one O(3)Cu5 square pyramid,  an edgeedge with one O(2)Mg2Cu2 tetrahedra,  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid, and edges with two equivalent O(4)Mg2Cu3 trigonal bipyramids. In the sixth O site, O(5) is bonded to two equivalent Mg(1), one Cu(3), and two equivalent Cu(5) atoms to form distorted OMg2Cu3 trigonal bipyramids that share  a cornercorner with one O(7)Cu6 octahedra, corners with four equivalent O(6)Cu5 square pyramids, corners with four equivalent O(2)Mg2Cu2 tetrahedra, corners with two equivalent O(4)Mg2Cu3 trigonal bipyramids, edges with two equivalent O(7)Cu6 octahedra,  an edgeedge with one O(6)Cu5 square pyramid,  an edgeedge with one O(2)Mg2Cu2 tetrahedra,  an edgeedge with one O(4)Mg2Cu3 trigonal bipyramid, and edges with two equivalent O(5)Mg2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(6) is bonded to one Cu(1), two equivalent Cu(3), and two equivalent Cu(5) atoms to form OCu5 square pyramids that share corners with two equivalent O(7)Cu6 octahedra,  a cornercorner with one O(6)Cu5 square pyramid, corners with two equivalent O(2)Mg2Cu2 tetrahedra, corners with four equivalent O(5)Mg2Cu3 trigonal bipyramids, edges with five equivalent O(7)Cu6 octahedra, edges with two equivalent O(6)Cu5 square pyramids, and  an edgeedge with one O(5)Mg2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF file [CIF]
data_Mg2Cu9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   16.220
_cell_angle_alpha   81.907
_cell_angle_beta   81.907
_cell_angle_gamma   33.412
_symmetry_Int_Tables_number   1
_cell_volume   232.934
_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  0.785  0.785  0.228  1.0
  Mg  Mg1  1  0.215  0.215  0.772  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.355  0.355  0.041  1.0
  Cu  Cu4  1  0.645  0.645  0.959  1.0
  Cu  Cu5  1  0.250  0.250  0.418  1.0
  Cu  Cu6  1  0.750  0.750  0.582  1.0
  Cu  Cu7  1  0.065  0.065  0.124  1.0
  Cu  Cu8  1  0.935  0.935  0.876  1.0
  Cu  Cu9  1  0.008  0.008  0.331  1.0
  Cu  Cu10  1  0.992  0.992  0.669  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.142  0.142  0.227  1.0
  O  O13  1  0.858  0.858  0.773  1.0
  O  O14  1  0.701  0.701  0.071  1.0
  O  O15  1  0.299  0.299  0.929  1.0
  O  O16  1  0.416  0.416  0.146  1.0
  O  O17  1  0.584  0.584  0.854  1.0
  O  O18  1  0.370  0.370  0.315  1.0
  O  O19  1  0.630  0.630  0.685  1.0
  O  O20  1  0.609  0.609  0.388  1.0
  O  O21  1  0.391  0.391  0.612  1.0
  O  O22  1  0.868  0.868  0.470  1.0
  O  O23  1  0.132  0.132  0.530  1.0
[/CIF]
.