The material structure described by MgNi9O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(8), and two equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Ni(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 52-68°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form NiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(9)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-15°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Mg(1)O4 trigonal pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-58°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids,  a cornercorner with one O(2)Mg2Ni2 trigonal pyramid, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ni(6), and one Ni(8) atom to form OMg2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(10)MgNi3 tetrahedra, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, edges with two equivalent O(6)Ni5 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(4), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to one Mg(1), one Ni(1), and two equivalent Ni(4) atoms to form OMgNi3 tetrahedra that share  a cornercorner with one O(11)Ni5 square pyramid, corners with four equivalent O(12)Ni5 square pyramids, corners with two equivalent O(10)MgNi3 tetrahedra, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, edges with two equivalent O(13)Ni6 octahedra, and  an edgeedge with one O(12)Ni5 square pyramid. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)MgNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with two equivalent O(12)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra, corners with four equivalent O(10)MgNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(12)Ni5 square pyramids, and  an edgeedge with one O(10)MgNi3 tetrahedra. The corner-sharing octahedral tilt angles are 9°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form ONi6 octahedra that share corners with two equivalent O(11)Ni5 square pyramids, corners with two equivalent O(12)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(11)Ni5 square pyramids, edges with three equivalent O(12)Ni5 square pyramids, and edges with two equivalent O(10)MgNi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.945
_cell_length_b   5.157
_cell_length_c   16.259
_cell_angle_alpha   98.708
_cell_angle_beta   89.936
_cell_angle_gamma   106.689
_symmetry_Int_Tables_number   1
_cell_volume   233.534
_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  0.431  0.872  0.313  1.0
  Ni  Ni1  1  0.501  0.999  0.518  1.0
  Ni  Ni2  1  0.642  0.286  0.041  1.0
  Ni  Ni3  1  0.346  0.693  0.953  1.0
  Ni  Ni4  1  0.744  0.485  0.435  1.0
  Ni  Ni5  1  0.251  0.498  0.604  1.0
  Ni  Ni6  1  0.919  0.840  0.118  1.0
  Ni  Ni7  1  0.059  0.117  0.879  1.0
  Ni  Ni8  1  0.120  0.244  0.237  1.0
  Ni  Ni9  1  0.003  0.000  0.679  1.0
  O  O10  1  0.995  0.990  0.992  1.0
  O  O11  1  0.904  0.817  0.237  1.0
  O  O12  1  0.121  0.239  0.778  1.0
  O  O13  1  0.290  0.582  0.065  1.0
  O  O14  1  0.694  0.389  0.926  1.0
  O  O15  1  0.578  0.160  0.149  1.0
  O  O16  1  0.434  0.865  0.852  1.0
  O  O17  1  0.643  0.289  0.317  1.0
  O  O18  1  0.392  0.775  0.706  1.0
  O  O19  1  0.370  0.736  0.417  1.0
  O  O20  1  0.613  0.226  0.630  1.0
  O  O21  1  0.134  0.264  0.488  1.0
  O  O22  1  0.882  0.759  0.569  1.0
[/CIF]
.
The material structure described by MgNi9O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(8), and two equivalent O(2) atoms to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Ni(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 52-68°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form NiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(9)O6 octahedra, edges with three equivalent Ni(4)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and edges with three equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Ni site, Ni(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O5 square pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(8)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-15°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the eighth Ni site, Ni(8) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O5 square pyramids, edges with two equivalent Mg(1)O4 trigonal pyramids, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(3), two equivalent O(11), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-58°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Ni(6), one Ni(7), two equivalent Ni(2), and two equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(5)Ni5 square pyramids,  a cornercorner with one O(2)Mg2Ni2 trigonal pyramid, edges with two equivalent O(1)Ni6 octahedra, edges with three equivalent O(4)Ni5 square pyramids, edges with three equivalent O(5)Ni5 square pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ni(6), and one Ni(8) atom to form OMg2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(4)Ni5 square pyramids, corners with two equivalent O(10)MgNi3 tetrahedra, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, and edges with two equivalent O(6)Ni5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 15°. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(7) and one Ni(9) atom. In the fourth O site, O(4) is bonded to one Ni(3), two equivalent Ni(2), and two equivalent Ni(6) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(6)Ni5 trigonal bipyramids, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, edges with two equivalent O(5)Ni5 square pyramids, and  an edgeedge with one O(6)Ni5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded to one Ni(2), two equivalent Ni(3), and two equivalent Ni(7) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra,  a cornercorner with one O(6)Ni5 trigonal bipyramid, edges with three equivalent O(1)Ni6 octahedra, edges with two equivalent O(4)Ni5 square pyramids, and edges with two equivalent O(5)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the sixth O site, O(6) is bonded to one Ni(2), two equivalent Ni(6), and two equivalent Ni(8) atoms to form distorted ONi5 trigonal bipyramids that share  a cornercorner with one O(5)Ni5 square pyramid, corners with four equivalent O(4)Ni5 square pyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(4)Ni5 square pyramid, edges with two equivalent O(6)Ni5 trigonal bipyramids, and edges with two equivalent O(2)Mg2Ni2 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(7) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(4), and two equivalent Ni(8) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5) and two equivalent Ni(9) atoms. In the tenth O site, O(10) is bonded to one Mg(1), one Ni(1), and two equivalent Ni(4) atoms to form OMgNi3 tetrahedra that share  a cornercorner with one O(11)Ni5 square pyramid, corners with four equivalent O(12)Ni5 square pyramids, corners with two equivalent O(10)MgNi3 tetrahedra, corners with two equivalent O(2)Mg2Ni2 trigonal pyramids, edges with two equivalent O(13)Ni6 octahedra, and  an edgeedge with one O(12)Ni5 square pyramid. In the eleventh O site, O(11) is bonded to one Ni(1), two equivalent Ni(5), and two equivalent Ni(9) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra,  a cornercorner with one O(10)MgNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, and edges with two equivalent O(12)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the twelfth O site, O(12) is bonded to one Ni(5), two equivalent Ni(1), and two equivalent Ni(4) atoms to form ONi5 square pyramids that share corners with two equivalent O(13)Ni6 octahedra, corners with four equivalent O(10)MgNi3 tetrahedra, edges with three equivalent O(13)Ni6 octahedra, edges with two equivalent O(11)Ni5 square pyramids, edges with two equivalent O(12)Ni5 square pyramids, and  an edgeedge with one O(10)MgNi3 tetrahedra. The corner-sharing octahedral tilt angles are 9°. In the thirteenth O site, O(13) is bonded to one Ni(4), one Ni(9), two equivalent Ni(1), and two equivalent Ni(5) atoms to form ONi6 octahedra that share corners with two equivalent O(11)Ni5 square pyramids, corners with two equivalent O(12)Ni5 square pyramids, edges with two equivalent O(13)Ni6 octahedra, edges with three equivalent O(11)Ni5 square pyramids, edges with three equivalent O(12)Ni5 square pyramids, and edges with two equivalent O(10)MgNi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.945
_cell_length_b   5.157
_cell_length_c   16.259
_cell_angle_alpha   98.708
_cell_angle_beta   89.936
_cell_angle_gamma   106.689
_symmetry_Int_Tables_number   1
_cell_volume   233.534
_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  0.431  0.872  0.313  1.0
  Ni  Ni1  1  0.501  0.999  0.518  1.0
  Ni  Ni2  1  0.642  0.286  0.041  1.0
  Ni  Ni3  1  0.346  0.693  0.953  1.0
  Ni  Ni4  1  0.744  0.485  0.435  1.0
  Ni  Ni5  1  0.251  0.498  0.604  1.0
  Ni  Ni6  1  0.919  0.840  0.118  1.0
  Ni  Ni7  1  0.059  0.117  0.879  1.0
  Ni  Ni8  1  0.120  0.244  0.237  1.0
  Ni  Ni9  1  0.003  0.000  0.679  1.0
  O  O10  1  0.995  0.990  0.992  1.0
  O  O11  1  0.904  0.817  0.237  1.0
  O  O12  1  0.121  0.239  0.778  1.0
  O  O13  1  0.290  0.582  0.065  1.0
  O  O14  1  0.694  0.389  0.926  1.0
  O  O15  1  0.578  0.160  0.149  1.0
  O  O16  1  0.434  0.865  0.852  1.0
  O  O17  1  0.643  0.289  0.317  1.0
  O  O18  1  0.392  0.775  0.706  1.0
  O  O19  1  0.370  0.736  0.417  1.0
  O  O20  1  0.613  0.226  0.630  1.0
  O  O21  1  0.134  0.264  0.488  1.0
  O  O22  1  0.882  0.759  0.569  1.0
[/CIF]
.