The material described by MgScNi2SbO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with three equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-52°. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ScO6 octahedra that share  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Sc(1)O6 octahedra, corners with three equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Ni(2), and one Sb(1) atom to form OMgScNiSb trigonal pyramids that share corners with three equivalent O(4)MgScNi2 tetrahedra,  a cornercorner with one O(2)ScNi2Sb trigonal pyramid,  a cornercorner with one O(3)ScNi2Sb trigonal pyramid,  an edgeedge with one O(2)ScNi2Sb trigonal pyramid, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form OScNi2Sb trigonal pyramids that share corners with three equivalent O(4)MgScNi2 tetrahedra,  a cornercorner with one O(1)MgScNiSb trigonal pyramid, corners with two equivalent O(3)ScNi2Sb trigonal pyramids,  an edgeedge with one O(1)MgScNiSb trigonal pyramid, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form distorted OScNi2Sb trigonal pyramids that share  a cornercorner with one O(4)MgScNi2 tetrahedra,  a cornercorner with one O(1)MgScNiSb trigonal pyramid, corners with two equivalent O(2)ScNi2Sb trigonal pyramids,  an edgeedge with one O(4)MgScNi2 tetrahedra,  an edgeedge with one O(1)MgScNiSb trigonal pyramid, and  an edgeedge with one O(2)ScNi2Sb trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Ni(1), and one Ni(2) atom to form distorted OMgScNi2 tetrahedra that share  a cornercorner with one O(3)ScNi2Sb trigonal pyramid, corners with three equivalent O(1)MgScNiSb trigonal pyramids, corners with three equivalent O(2)ScNi2Sb trigonal pyramids, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Ni(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgScNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   5.519
_cell_length_c   5.840
_cell_angle_alpha   60.185
_cell_angle_beta   62.437
_cell_angle_gamma   61.599
_symmetry_Int_Tables_number   1
_cell_volume   144.104
_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  0.364  0.043  0.865  1.0
  Sc  Sc1  1  0.871  0.773  0.536  1.0
  Ni  Ni2  1  0.863  0.094  0.940  1.0
  Ni  Ni3  1  0.596  0.507  0.434  1.0
  Sb  Sb4  1  0.313  0.432  0.147  1.0
  O  O5  1  0.265  0.767  0.251  1.0
  O  O6  1  0.881  0.687  0.222  1.0
  O  O7  1  0.651  0.239  0.256  1.0
  O  O8  1  0.708  0.088  0.722  1.0
  O  O9  1  0.079  0.352  0.717  1.0
  O  O10  1  0.484  0.693  0.746  1.0
[/CIF]
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The material described by MgScNi2SbO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with three equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-52°. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ScO6 octahedra that share  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with two equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Sc(1)O6 octahedra, corners with three equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Ni(2), and one Sb(1) atom to form OMgScNiSb trigonal pyramids that share corners with three equivalent O(4)MgScNi2 tetrahedra,  a cornercorner with one O(2)ScNi2Sb trigonal pyramid,  a cornercorner with one O(3)ScNi2Sb trigonal pyramid,  an edgeedge with one O(2)ScNi2Sb trigonal pyramid, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the second O site, O(2) is bonded to one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form OScNi2Sb trigonal pyramids that share corners with three equivalent O(4)MgScNi2 tetrahedra,  a cornercorner with one O(1)MgScNiSb trigonal pyramid, corners with two equivalent O(3)ScNi2Sb trigonal pyramids,  an edgeedge with one O(1)MgScNiSb trigonal pyramid, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the third O site, O(3) is bonded to one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form distorted OScNi2Sb trigonal pyramids that share  a cornercorner with one O(4)MgScNi2 tetrahedra,  a cornercorner with one O(1)MgScNiSb trigonal pyramid, corners with two equivalent O(2)ScNi2Sb trigonal pyramids,  an edgeedge with one O(4)MgScNi2 tetrahedra,  an edgeedge with one O(1)MgScNiSb trigonal pyramid, and  an edgeedge with one O(2)ScNi2Sb trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Ni(1), and one Ni(2) atom to form distorted OMgScNi2 tetrahedra that share  a cornercorner with one O(3)ScNi2Sb trigonal pyramid, corners with three equivalent O(1)MgScNiSb trigonal pyramids, corners with three equivalent O(2)ScNi2Sb trigonal pyramids, and  an edgeedge with one O(3)ScNi2Sb trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Ni(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgScNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   5.519
_cell_length_c   5.840
_cell_angle_alpha   60.185
_cell_angle_beta   62.437
_cell_angle_gamma   61.599
_symmetry_Int_Tables_number   1
_cell_volume   144.104
_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  0.364  0.043  0.865  1.0
  Sc  Sc1  1  0.871  0.773  0.536  1.0
  Ni  Ni2  1  0.863  0.094  0.940  1.0
  Ni  Ni3  1  0.596  0.507  0.434  1.0
  Sb  Sb4  1  0.313  0.432  0.147  1.0
  O  O5  1  0.265  0.767  0.251  1.0
  O  O6  1  0.881  0.687  0.222  1.0
  O  O7  1  0.651  0.239  0.256  1.0
  O  O8  1  0.708  0.088  0.722  1.0
  O  O9  1  0.079  0.352  0.717  1.0
  O  O10  1  0.484  0.693  0.746  1.0
[/CIF]
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