The material described by MgScNi2SbO6 crystallizes in the triclinic P1 space group. Mg(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 MgO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra,  a faceface with one Sc(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. 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 ScO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Sb(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ni site, Ni(2) 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 NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. Sb(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 SbO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.355
_cell_length_c   5.991
_cell_angle_alpha   63.503
_cell_angle_beta   63.501
_cell_angle_gamma   59.980
_symmetry_Int_Tables_number   1
_cell_volume   127.577
_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  0.663  0.665  0.007  1.0
  Sc  Sc1  1  0.839  0.840  0.482  1.0
  Ni  Ni2  1  0.028  0.029  0.915  1.0
  Ni  Ni3  1  0.492  0.494  0.519  1.0
  Sb  Sb4  1  0.306  0.307  0.079  1.0
  O  O5  1  0.252  0.861  0.242  1.0
  O  O6  1  0.860  0.644  0.242  1.0
  O  O7  1  0.645  0.253  0.241  1.0
  O  O8  1  0.724  0.078  0.759  1.0
  O  O9  1  0.077  0.439  0.759  1.0
  O  O10  1  0.438  0.726  0.758  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(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra,  a faceface with one Sc(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. 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 ScO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Sb(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ni site, Ni(2) 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 NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, edges with three equivalent Sc(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. Sb(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 SbO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Sc(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Ni(1), one Ni(2), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OMgScNi2Sb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.355
_cell_length_c   5.991
_cell_angle_alpha   63.503
_cell_angle_beta   63.501
_cell_angle_gamma   59.980
_symmetry_Int_Tables_number   1
_cell_volume   127.577
_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  0.663  0.665  0.007  1.0
  Sc  Sc1  1  0.839  0.840  0.482  1.0
  Ni  Ni2  1  0.028  0.029  0.915  1.0
  Ni  Ni3  1  0.492  0.494  0.519  1.0
  Sb  Sb4  1  0.306  0.307  0.079  1.0
  O  O5  1  0.252  0.861  0.242  1.0
  O  O6  1  0.860  0.644  0.242  1.0
  O  O7  1  0.645  0.253  0.241  1.0
  O  O8  1  0.724  0.078  0.759  1.0
  O  O9  1  0.077  0.439  0.759  1.0
  O  O10  1  0.438  0.726  0.758  1.0
[/CIF]
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