The compound described by Na3SrTiNb3O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share  a faceface with one Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Nb(3)O6 octahedra,  a faceface with one Nb(4)O6 octahedra,  a faceface with one Nb(5)O6 octahedra, and  a faceface with one Nb(6)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(12), two equivalent O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the third Nb site, Nb(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fourth Nb site, Nb(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fifth Nb site, Nb(5) is bonded to two equivalent O(11), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the sixth Nb site, Nb(6) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(2), and one Nb(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Nb(1), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(3), and one Nb(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Ti(2), and one Nb(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Nb(2), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Ti(1), and one Nb(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(4), and one Nb(6) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(5), and one Nb(6) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(1), and one Nb(4) atom. is represented by the CIF file [CIF]
data_Na3SrTiNb3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   7.930
_cell_length_c   7.993
_cell_angle_alpha   90.112
_cell_angle_beta   90.101
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   502.328
_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
  Na  Na0  1  0.750  0.750  0.252  1.0
  Na  Na1  1  0.750  0.751  0.751  1.0
  Na  Na2  1  0.250  0.751  0.751  1.0
  Na  Na3  1  0.750  0.249  0.249  1.0
  Na  Na4  1  0.250  0.249  0.249  1.0
  Na  Na5  1  0.250  0.250  0.748  1.0
  Sr  Sr6  1  0.250  0.750  0.248  1.0
  Sr  Sr7  1  0.750  0.250  0.752  1.0
  Ti  Ti8  1  0.000  0.500  0.000  1.0
  Ti  Ti9  1  0.500  0.000  0.500  1.0
  Nb  Nb10  1  0.000  0.000  0.000  1.0
  Nb  Nb11  1  0.000  0.000  0.500  1.0
  Nb  Nb12  1  0.500  0.000  0.000  1.0
  Nb  Nb13  1  0.000  0.500  0.500  1.0
  Nb  Nb14  1  0.500  0.500  0.000  1.0
  Nb  Nb15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.512  0.005  0.750  1.0
  O  O17  1  0.987  0.003  0.750  1.0
  O  O18  1  0.250  0.961  0.991  1.0
  O  O19  1  0.749  0.971  0.494  1.0
  O  O20  1  0.534  0.750  0.003  1.0
  O  O21  1  0.970  0.749  0.005  1.0
  O  O22  1  0.466  0.751  0.502  1.0
  O  O23  1  0.037  0.750  0.501  1.0
  O  O24  1  0.249  0.535  0.994  1.0
  O  O25  1  0.750  0.533  0.493  1.0
  O  O26  1  0.488  0.504  0.250  1.0
  O  O27  1  0.011  0.502  0.249  1.0
  O  O28  1  0.989  0.498  0.751  1.0
  O  O29  1  0.512  0.496  0.750  1.0
  O  O30  1  0.250  0.467  0.507  1.0
  O  O31  1  0.751  0.465  0.006  1.0
  O  O32  1  0.963  0.250  0.499  1.0
  O  O33  1  0.534  0.249  0.498  1.0
  O  O34  1  0.030  0.251  0.995  1.0
  O  O35  1  0.466  0.250  0.997  1.0
  O  O36  1  0.251  0.029  0.506  1.0
  O  O37  1  0.750  0.039  0.009  1.0
  O  O38  1  0.013  0.997  0.250  1.0
  O  O39  1  0.488  0.995  0.250  1.0
[/CIF]
.
The compound described by Na3SrTiNb3O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share  a faceface with one Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra,  a faceface with one Nb(1)O6 octahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Nb(3)O6 octahedra,  a faceface with one Nb(4)O6 octahedra,  a faceface with one Nb(5)O6 octahedra, and  a faceface with one Nb(6)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(12), two equivalent O(6), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the third Nb site, Nb(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fourth Nb site, Nb(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fifth Nb site, Nb(5) is bonded to two equivalent O(11), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(6)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the sixth Nb site, Nb(6) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(2), and one Nb(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Nb(1), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(3), and one Nb(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Ti(2), and one Nb(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Nb(2), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Sr(1), one Ti(1), and one Nb(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(4), and one Nb(6) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Nb(5), and one Nb(6) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Na(1), one Na(2), one Na(3), one Sr(1), one Ti(1), and one Nb(4) atom. is represented by the CIF file [CIF]
data_Na3SrTiNb3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   7.930
_cell_length_c   7.993
_cell_angle_alpha   90.112
_cell_angle_beta   90.101
_cell_angle_gamma   90.121
_symmetry_Int_Tables_number   1
_cell_volume   502.328
_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
  Na  Na0  1  0.750  0.750  0.252  1.0
  Na  Na1  1  0.750  0.751  0.751  1.0
  Na  Na2  1  0.250  0.751  0.751  1.0
  Na  Na3  1  0.750  0.249  0.249  1.0
  Na  Na4  1  0.250  0.249  0.249  1.0
  Na  Na5  1  0.250  0.250  0.748  1.0
  Sr  Sr6  1  0.250  0.750  0.248  1.0
  Sr  Sr7  1  0.750  0.250  0.752  1.0
  Ti  Ti8  1  0.000  0.500  0.000  1.0
  Ti  Ti9  1  0.500  0.000  0.500  1.0
  Nb  Nb10  1  0.000  0.000  0.000  1.0
  Nb  Nb11  1  0.000  0.000  0.500  1.0
  Nb  Nb12  1  0.500  0.000  0.000  1.0
  Nb  Nb13  1  0.000  0.500  0.500  1.0
  Nb  Nb14  1  0.500  0.500  0.000  1.0
  Nb  Nb15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.512  0.005  0.750  1.0
  O  O17  1  0.987  0.003  0.750  1.0
  O  O18  1  0.250  0.961  0.991  1.0
  O  O19  1  0.749  0.971  0.494  1.0
  O  O20  1  0.534  0.750  0.003  1.0
  O  O21  1  0.970  0.749  0.005  1.0
  O  O22  1  0.466  0.751  0.502  1.0
  O  O23  1  0.037  0.750  0.501  1.0
  O  O24  1  0.249  0.535  0.994  1.0
  O  O25  1  0.750  0.533  0.493  1.0
  O  O26  1  0.488  0.504  0.250  1.0
  O  O27  1  0.011  0.502  0.249  1.0
  O  O28  1  0.989  0.498  0.751  1.0
  O  O29  1  0.512  0.496  0.750  1.0
  O  O30  1  0.250  0.467  0.507  1.0
  O  O31  1  0.751  0.465  0.006  1.0
  O  O32  1  0.963  0.250  0.499  1.0
  O  O33  1  0.534  0.249  0.498  1.0
  O  O34  1  0.030  0.251  0.995  1.0
  O  O35  1  0.466  0.250  0.997  1.0
  O  O36  1  0.251  0.029  0.506  1.0
  O  O37  1  0.750  0.039  0.009  1.0
  O  O38  1  0.013  0.997  0.250  1.0
  O  O39  1  0.488  0.995  0.250  1.0
[/CIF]
.