The material described by Na3LaTaSi2PO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(7), and one O(8) atom. La(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted LaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-38°. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one La(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(2), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ta(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one La(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(3), one La(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one La(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ta(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Ta(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3LaTaSi2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.235
_cell_length_b   9.315
_cell_length_c   9.315
_cell_angle_alpha   60.977
_cell_angle_beta   61.158
_cell_angle_gamma   61.158
_symmetry_Int_Tables_number   1
_cell_volume   580.595
_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
  La  La0  1  0.362  0.333  0.352  1.0
  La  La1  1  0.862  0.852  0.833  1.0
  Na  Na2  1  0.499  0.512  0.487  1.0
  Na  Na3  1  0.999  0.987  0.012  1.0
  Na  Na4  1  0.599  0.232  0.916  1.0
  Na  Na5  1  0.897  0.617  0.221  1.0
  Na  Na6  1  0.099  0.416  0.732  1.0
  Na  Na7  1  0.397  0.721  0.117  1.0
  O  O8  1  0.077  0.317  0.541  1.0
  O  O9  1  0.314  0.525  0.099  1.0
  O  O10  1  0.538  0.109  0.265  1.0
  O  O11  1  0.814  0.599  0.025  1.0
  O  O12  1  0.577  0.041  0.817  1.0
  O  O13  1  0.038  0.765  0.609  1.0
  O  O14  1  0.855  0.725  0.492  1.0
  O  O15  1  0.733  0.507  0.849  1.0
  O  O16  1  0.505  0.865  0.733  1.0
  O  O17  1  0.233  0.349  0.007  1.0
  O  O18  1  0.355  0.992  0.225  1.0
  O  O19  1  0.005  0.233  0.365  1.0
  O  O20  1  0.223  0.610  0.390  1.0
  O  O21  1  0.609  0.418  0.216  1.0
  O  O22  1  0.374  0.206  0.644  1.0
  O  O23  1  0.109  0.716  0.918  1.0
  O  O24  1  0.723  0.890  0.110  1.0
  O  O25  1  0.874  0.144  0.706  1.0
  O  O26  1  0.773  0.455  0.521  1.0
  O  O27  1  0.455  0.541  0.771  1.0
  O  O28  1  0.545  0.775  0.451  1.0
  O  O29  1  0.955  0.271  0.041  1.0
  O  O30  1  0.273  0.021  0.955  1.0
  O  O31  1  0.045  0.951  0.275  1.0
  P  P32  1  0.934  0.283  0.537  1.0
  P  P33  1  0.434  0.037  0.783  1.0
  Si  Si34  1  0.272  0.540  0.944  1.0
  Si  Si35  1  0.543  0.938  0.262  1.0
  Si  Si36  1  0.772  0.444  0.040  1.0
  Si  Si37  1  0.043  0.762  0.438  1.0
  Ta  Ta38  1  0.643  0.658  0.645  1.0
  Ta  Ta39  1  0.143  0.145  0.158  1.0
[/CIF]
.
The material described by Na3LaTaSi2PO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(7), and one O(8) atom. La(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form distorted LaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-38°. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra and corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one La(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(2), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ta(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one La(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Na(1), one Na(3), one La(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one La(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ta(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Ta(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3LaTaSi2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.235
_cell_length_b   9.315
_cell_length_c   9.315
_cell_angle_alpha   60.977
_cell_angle_beta   61.158
_cell_angle_gamma   61.158
_symmetry_Int_Tables_number   1
_cell_volume   580.595
_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
  La  La0  1  0.362  0.333  0.352  1.0
  La  La1  1  0.862  0.852  0.833  1.0
  Na  Na2  1  0.499  0.512  0.487  1.0
  Na  Na3  1  0.999  0.987  0.012  1.0
  Na  Na4  1  0.599  0.232  0.916  1.0
  Na  Na5  1  0.897  0.617  0.221  1.0
  Na  Na6  1  0.099  0.416  0.732  1.0
  Na  Na7  1  0.397  0.721  0.117  1.0
  O  O8  1  0.077  0.317  0.541  1.0
  O  O9  1  0.314  0.525  0.099  1.0
  O  O10  1  0.538  0.109  0.265  1.0
  O  O11  1  0.814  0.599  0.025  1.0
  O  O12  1  0.577  0.041  0.817  1.0
  O  O13  1  0.038  0.765  0.609  1.0
  O  O14  1  0.855  0.725  0.492  1.0
  O  O15  1  0.733  0.507  0.849  1.0
  O  O16  1  0.505  0.865  0.733  1.0
  O  O17  1  0.233  0.349  0.007  1.0
  O  O18  1  0.355  0.992  0.225  1.0
  O  O19  1  0.005  0.233  0.365  1.0
  O  O20  1  0.223  0.610  0.390  1.0
  O  O21  1  0.609  0.418  0.216  1.0
  O  O22  1  0.374  0.206  0.644  1.0
  O  O23  1  0.109  0.716  0.918  1.0
  O  O24  1  0.723  0.890  0.110  1.0
  O  O25  1  0.874  0.144  0.706  1.0
  O  O26  1  0.773  0.455  0.521  1.0
  O  O27  1  0.455  0.541  0.771  1.0
  O  O28  1  0.545  0.775  0.451  1.0
  O  O29  1  0.955  0.271  0.041  1.0
  O  O30  1  0.273  0.021  0.955  1.0
  O  O31  1  0.045  0.951  0.275  1.0
  P  P32  1  0.934  0.283  0.537  1.0
  P  P33  1  0.434  0.037  0.783  1.0
  Si  Si34  1  0.272  0.540  0.944  1.0
  Si  Si35  1  0.543  0.938  0.262  1.0
  Si  Si36  1  0.772  0.444  0.040  1.0
  Si  Si37  1  0.043  0.762  0.438  1.0
  Ta  Ta38  1  0.643  0.658  0.645  1.0
  Ta  Ta39  1  0.143  0.145  0.158  1.0
[/CIF]
.