The material described by Na7MgSbO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the seventh Na site, Na(7) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted MgO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), one Na(7), and one Mg(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(5), one Na(6), one Mg(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing ONa4MgSb octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Na(6), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Na(6), one Na(7), and one Mg(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(3), one Na(4), one Na(5), one Na(6), one Mg(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(5), one Na(6), one Na(7), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing ONa4Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-60°. is represented by the CIF file [CIF]
data_Na7MgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.515
_cell_length_c   7.216
_cell_angle_alpha   71.672
_cell_angle_beta   121.658
_cell_angle_gamma   113.569
_symmetry_Int_Tables_number   1
_cell_volume   231.598
_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  0.872  0.744  0.610  1.0
  Na  Na1  1  0.423  0.873  0.365  1.0
  Na  Na2  1  0.740  0.360  0.413  1.0
  Na  Na3  1  0.243  0.584  0.073  1.0
  Na  Na4  1  0.555  0.091  0.866  1.0
  Na  Na5  1  0.316  0.515  0.658  1.0
  Na  Na6  1  0.979  0.168  0.308  1.0
  Mg  Mg7  1  0.751  0.676  0.077  1.0
  Sb  Sb8  1  0.085  0.126  0.915  1.0
  O  O9  1  0.662  0.828  0.221  1.0
  O  O10  1  0.686  0.848  0.769  1.0
  O  O11  1  0.912  0.370  0.775  1.0
  O  O12  1  0.058  0.563  0.285  1.0
  O  O13  1  0.452  0.368  0.040  1.0
  O  O14  1  0.139  0.106  0.677  1.0
[/CIF]
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The material described by Na7MgSbO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the seventh Na site, Na(7) is bonded in a distorted T-shaped geometry to one O(1), one O(4), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted MgO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), one Na(7), and one Mg(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(5), one Na(6), one Mg(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing ONa4MgSb octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), one Na(6), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Na(4), one Na(6), one Na(7), and one Mg(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(3), one Na(4), one Na(5), one Na(6), one Mg(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(5), one Na(6), one Na(7), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing ONa4Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-60°. is represented by the CIF file [CIF]
data_Na7MgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.371
_cell_length_b   6.515
_cell_length_c   7.216
_cell_angle_alpha   71.672
_cell_angle_beta   121.658
_cell_angle_gamma   113.569
_symmetry_Int_Tables_number   1
_cell_volume   231.598
_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  0.872  0.744  0.610  1.0
  Na  Na1  1  0.423  0.873  0.365  1.0
  Na  Na2  1  0.740  0.360  0.413  1.0
  Na  Na3  1  0.243  0.584  0.073  1.0
  Na  Na4  1  0.555  0.091  0.866  1.0
  Na  Na5  1  0.316  0.515  0.658  1.0
  Na  Na6  1  0.979  0.168  0.308  1.0
  Mg  Mg7  1  0.751  0.676  0.077  1.0
  Sb  Sb8  1  0.085  0.126  0.915  1.0
  O  O9  1  0.662  0.828  0.221  1.0
  O  O10  1  0.686  0.848  0.769  1.0
  O  O11  1  0.912  0.370  0.775  1.0
  O  O12  1  0.058  0.563  0.285  1.0
  O  O13  1  0.452  0.368  0.040  1.0
  O  O14  1  0.139  0.106  0.677  1.0
[/CIF]
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