The material described by NaBa2Sr2(SbO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4n2 space group. 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 Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ba(1) is bonded to one O(4), one O(5), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Sr(1) is bonded to one O(4), one O(5), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Sb site, Sb(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are five inequivalent O sites. In the first O site, O(4) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(1) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(2) atom. In the fifth O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. is represented by the CIF card [CIF]
data_Ba2NaSr2(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.317
_cell_length_b   8.317
_cell_length_c   8.344
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.195
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.249  0.251  0.250  1.0
  Ba  Ba1  1  0.751  0.749  0.250  1.0
  Ba  Ba2  1  0.749  0.249  0.750  1.0
  Ba  Ba3  1  0.251  0.751  0.750  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Sr  Sr6  1  0.249  0.749  0.250  1.0
  Sr  Sr7  1  0.751  0.251  0.250  1.0
  Sr  Sr8  1  0.251  0.249  0.750  1.0
  Sr  Sr9  1  0.749  0.751  0.750  1.0
  Sb  Sb10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.500  0.000  0.500  1.0
  Sb  Sb13  1  0.000  0.500  1.000  1.0
  Sb  Sb14  1  0.000  0.500  0.500  1.0
  Sb  Sb15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.500  0.500  0.229  1.0
  O  O17  1  0.000  0.000  0.729  1.0
  O  O18  1  0.500  0.500  0.771  1.0
  O  O19  1  0.000  0.000  0.271  1.0
  O  O20  1  0.230  0.487  0.502  1.0
  O  O21  1  0.770  0.513  0.502  1.0
  O  O22  1  0.730  0.013  0.002  1.0
  O  O23  1  0.270  0.987  0.002  1.0
  O  O24  1  0.487  0.770  0.498  1.0
  O  O25  1  0.513  0.230  0.498  1.0
  O  O26  1  0.013  0.270  0.998  1.0
  O  O27  1  0.987  0.730  0.998  1.0
  O  O28  1  0.250  0.014  0.504  1.0
  O  O29  1  0.750  0.986  0.504  1.0
  O  O30  1  0.750  0.486  0.004  1.0
  O  O31  1  0.250  0.514  0.004  1.0
  O  O32  1  0.014  0.750  0.496  1.0
  O  O33  1  0.986  0.250  0.496  1.0
  O  O34  1  0.486  0.250  0.996  1.0
  O  O35  1  0.514  0.750  0.996  1.0
  O  O36  1  0.500  0.000  0.250  1.0
  O  O37  1  0.000  0.500  0.750  1.0
  O  O38  1  0.000  0.500  0.250  1.0
  O  O39  1  0.500  0.000  0.750  1.0
[/CIF]
.
The material described by NaBa2Sr2(SbO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P-4n2 space group. 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 Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ba(1) is bonded to one O(4), one O(5), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. Sr(1) is bonded to one O(4), one O(5), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(1)O6 octahedra, and faces with four equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Sb site, Sb(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are five inequivalent O sites. In the first O site, O(4) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third O site, O(1) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(2) atom. In the fifth O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted face and corner-sharing OBa2Sr2Sb2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. is represented by the CIF card [CIF]
data_Ba2NaSr2(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.317
_cell_length_b   8.317
_cell_length_c   8.344
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.195
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.249  0.251  0.250  1.0
  Ba  Ba1  1  0.751  0.749  0.250  1.0
  Ba  Ba2  1  0.749  0.249  0.750  1.0
  Ba  Ba3  1  0.251  0.751  0.750  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Sr  Sr6  1  0.249  0.749  0.250  1.0
  Sr  Sr7  1  0.751  0.251  0.250  1.0
  Sr  Sr8  1  0.251  0.249  0.750  1.0
  Sr  Sr9  1  0.749  0.751  0.750  1.0
  Sb  Sb10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.000  0.000  0.500  1.0
  Sb  Sb12  1  0.500  0.000  0.500  1.0
  Sb  Sb13  1  0.000  0.500  1.000  1.0
  Sb  Sb14  1  0.000  0.500  0.500  1.0
  Sb  Sb15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.500  0.500  0.229  1.0
  O  O17  1  0.000  0.000  0.729  1.0
  O  O18  1  0.500  0.500  0.771  1.0
  O  O19  1  0.000  0.000  0.271  1.0
  O  O20  1  0.230  0.487  0.502  1.0
  O  O21  1  0.770  0.513  0.502  1.0
  O  O22  1  0.730  0.013  0.002  1.0
  O  O23  1  0.270  0.987  0.002  1.0
  O  O24  1  0.487  0.770  0.498  1.0
  O  O25  1  0.513  0.230  0.498  1.0
  O  O26  1  0.013  0.270  0.998  1.0
  O  O27  1  0.987  0.730  0.998  1.0
  O  O28  1  0.250  0.014  0.504  1.0
  O  O29  1  0.750  0.986  0.504  1.0
  O  O30  1  0.750  0.486  0.004  1.0
  O  O31  1  0.250  0.514  0.004  1.0
  O  O32  1  0.014  0.750  0.496  1.0
  O  O33  1  0.986  0.250  0.496  1.0
  O  O34  1  0.486  0.250  0.996  1.0
  O  O35  1  0.514  0.750  0.996  1.0
  O  O36  1  0.500  0.000  0.250  1.0
  O  O37  1  0.000  0.500  0.750  1.0
  O  O38  1  0.000  0.500  0.250  1.0
  O  O39  1  0.500  0.000  0.750  1.0
[/CIF]
.