The structure described by NaBaSr3(SbO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic C222_1 space group. Na(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), two equivalent O(5), four equivalent O(3), and four equivalent O(6) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), two equivalent O(5), four equivalent O(4), and four equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the second Sb site, Sb(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Sr(1), two equivalent Sr(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Ba(1), one Sr(1), one Sr(2), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(2), one Sb(1), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaSr3(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.286
_cell_length_b   8.286
_cell_length_c   8.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.828
_symmetry_Int_Tables_number   1
_cell_volume   565.022
_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  0.502  0.498  0.250  1.0
  Ba  Ba1  1  0.498  0.502  0.750  1.0
  Na  Na2  1  0.750  0.750  0.000  1.0
  Na  Na3  1  0.250  0.250  0.500  1.0
  Sr  Sr4  1  0.994  0.006  0.750  1.0
  Sr  Sr5  1  0.006  0.994  0.250  1.0
  Sr  Sr6  1  0.498  0.996  0.255  1.0
  Sr  Sr7  1  0.996  0.498  0.745  1.0
  Sr  Sr8  1  0.502  0.004  0.755  1.0
  Sr  Sr9  1  0.004  0.502  0.245  1.0
  Sb  Sb10  1  0.753  0.246  0.000  1.0
  Sb  Sb11  1  0.246  0.753  1.000  1.0
  Sb  Sb12  1  0.754  0.247  0.500  1.0
  Sb  Sb13  1  0.247  0.754  0.500  1.0
  Sb  Sb14  1  0.247  0.247  0.000  1.0
  Sb  Sb15  1  0.753  0.753  0.500  1.0
  O  O16  1  0.787  0.213  0.250  1.0
  O  O17  1  0.213  0.787  0.750  1.0
  O  O18  1  0.724  0.276  0.750  1.0
  O  O19  1  0.276  0.724  0.250  1.0
  O  O20  1  0.762  0.476  0.028  1.0
  O  O21  1  0.476  0.762  0.972  1.0
  O  O22  1  0.983  0.252  0.533  1.0
  O  O23  1  0.252  0.983  0.467  1.0
  O  O24  1  0.748  0.017  0.967  1.0
  O  O25  1  0.017  0.748  0.033  1.0
  O  O26  1  0.524  0.238  0.472  1.0
  O  O27  1  0.238  0.524  0.528  1.0
  O  O28  1  0.721  0.784  0.272  1.0
  O  O29  1  0.784  0.721  0.728  1.0
  O  O30  1  0.279  0.216  0.772  1.0
  O  O31  1  0.216  0.279  0.228  1.0
  O  O32  1  0.756  0.499  0.468  1.0
  O  O33  1  0.499  0.756  0.532  1.0
  O  O34  1  0.001  0.244  0.958  1.0
  O  O35  1  0.244  0.001  0.042  1.0
  O  O36  1  0.756  0.999  0.542  1.0
  O  O37  1  0.999  0.756  0.458  1.0
  O  O38  1  0.501  0.244  0.032  1.0
  O  O39  1  0.244  0.501  0.968  1.0
[/CIF]
.
The structure described by NaBaSr3(SbO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic C222_1 space group. Na(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), two equivalent O(5), four equivalent O(3), and four equivalent O(6) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), two equivalent O(5), four equivalent O(4), and four equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the second Sb site, Sb(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), two equivalent Sr(2), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Sr(1), two equivalent Sr(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Ba(1), one Sr(1), one Sr(2), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(2), one Sb(1), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaSr3(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.286
_cell_length_b   8.286
_cell_length_c   8.230
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.828
_symmetry_Int_Tables_number   1
_cell_volume   565.022
_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  0.502  0.498  0.250  1.0
  Ba  Ba1  1  0.498  0.502  0.750  1.0
  Na  Na2  1  0.750  0.750  0.000  1.0
  Na  Na3  1  0.250  0.250  0.500  1.0
  Sr  Sr4  1  0.994  0.006  0.750  1.0
  Sr  Sr5  1  0.006  0.994  0.250  1.0
  Sr  Sr6  1  0.498  0.996  0.255  1.0
  Sr  Sr7  1  0.996  0.498  0.745  1.0
  Sr  Sr8  1  0.502  0.004  0.755  1.0
  Sr  Sr9  1  0.004  0.502  0.245  1.0
  Sb  Sb10  1  0.753  0.246  0.000  1.0
  Sb  Sb11  1  0.246  0.753  1.000  1.0
  Sb  Sb12  1  0.754  0.247  0.500  1.0
  Sb  Sb13  1  0.247  0.754  0.500  1.0
  Sb  Sb14  1  0.247  0.247  0.000  1.0
  Sb  Sb15  1  0.753  0.753  0.500  1.0
  O  O16  1  0.787  0.213  0.250  1.0
  O  O17  1  0.213  0.787  0.750  1.0
  O  O18  1  0.724  0.276  0.750  1.0
  O  O19  1  0.276  0.724  0.250  1.0
  O  O20  1  0.762  0.476  0.028  1.0
  O  O21  1  0.476  0.762  0.972  1.0
  O  O22  1  0.983  0.252  0.533  1.0
  O  O23  1  0.252  0.983  0.467  1.0
  O  O24  1  0.748  0.017  0.967  1.0
  O  O25  1  0.017  0.748  0.033  1.0
  O  O26  1  0.524  0.238  0.472  1.0
  O  O27  1  0.238  0.524  0.528  1.0
  O  O28  1  0.721  0.784  0.272  1.0
  O  O29  1  0.784  0.721  0.728  1.0
  O  O30  1  0.279  0.216  0.772  1.0
  O  O31  1  0.216  0.279  0.228  1.0
  O  O32  1  0.756  0.499  0.468  1.0
  O  O33  1  0.499  0.756  0.532  1.0
  O  O34  1  0.001  0.244  0.958  1.0
  O  O35  1  0.244  0.001  0.042  1.0
  O  O36  1  0.756  0.999  0.542  1.0
  O  O37  1  0.999  0.756  0.458  1.0
  O  O38  1  0.501  0.244  0.032  1.0
  O  O39  1  0.244  0.501  0.968  1.0
[/CIF]
.