The compound described by Na3Ni2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), two equivalent Ni(1), and one Sb(1) atom to form a mixture of corner and edge-sharing ONa3Ni2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), two equivalent Ni(1), and one Sb(1) atom to form a mixture of corner and edge-sharing ONa3Ni2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Na3Ni2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   5.684
_cell_angle_alpha   99.027
_cell_angle_beta   99.027
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   134.534
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.175  0.825  0.500  1.0
  Na  Na2  1  0.825  0.175  0.500  1.0
  Ni  Ni3  1  0.334  0.666  0.000  1.0
  Ni  Ni4  1  0.666  0.334  0.000  1.0
  O  O5  1  0.750  0.750  0.204  1.0
  O  O6  1  0.250  0.250  0.796  1.0
  O  O7  1  0.614  0.932  0.796  1.0
  O  O8  1  0.932  0.614  0.796  1.0
  O  O9  1  0.068  0.386  0.204  1.0
  O  O10  1  0.386  0.068  0.204  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3Ni2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), two equivalent Ni(1), and one Sb(1) atom to form a mixture of corner and edge-sharing ONa3Ni2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), two equivalent Ni(1), and one Sb(1) atom to form a mixture of corner and edge-sharing ONa3Ni2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF file [CIF]
data_Na3Ni2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.364
_cell_length_b   5.364
_cell_length_c   5.684
_cell_angle_alpha   99.027
_cell_angle_beta   99.027
_cell_angle_gamma   119.978
_symmetry_Int_Tables_number   1
_cell_volume   134.534
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Na  Na1  1  0.175  0.825  0.500  1.0
  Na  Na2  1  0.825  0.175  0.500  1.0
  Ni  Ni3  1  0.334  0.666  0.000  1.0
  Ni  Ni4  1  0.666  0.334  0.000  1.0
  O  O5  1  0.750  0.750  0.204  1.0
  O  O6  1  0.250  0.250  0.796  1.0
  O  O7  1  0.614  0.932  0.796  1.0
  O  O8  1  0.932  0.614  0.796  1.0
  O  O9  1  0.068  0.386  0.204  1.0
  O  O10  1  0.386  0.068  0.204  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
[/CIF]
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