The crystal structure described by Na3Ca2TaO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Na site, Na(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form NaO6 octahedra that share corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the third Na site, Na(3) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Na site, Na(4) is bonded to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the fifth Na site, Na(5) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth Na site, Na(6) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the second Ca site, Ca(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the third Ca site, Ca(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(6)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(6), one Ca(1), one Ca(2), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(6), one Ca(1), one Ca(2), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Na(5), one Ca(3), one Ca(4), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Na(5), one Ca(3), one Ca(4), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth O site, O(5) is bonded to one Na(1), one Na(3), one Na(6), one Ca(2), one Ca(4), and one Ta(2) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), one Ca(3), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), one Ca(3), and one Ta(2) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Na(6), one Ca(2), one Ca(4), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the ninth O site, O(9) is bonded to one Na(3), one Na(5), one Na(6), one Ca(2), one Ca(4), and one Ta(1) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth O site, O(10) is bonded to one Na(2), one Na(4), one Na(5), one Ca(1), one Ca(3), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the eleventh O site, O(11) is bonded to one Na(2), one Na(4), one Na(5), one Ca(1), one Ca(3), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the twelfth O site, O(12) is bonded to one Na(3), one Na(5), one Na(6), one Ca(2), one Ca(4), and one Ta(1) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ca2TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.994
_cell_length_b   10.440
_cell_length_c   5.833
_cell_angle_alpha   79.519
_cell_angle_beta   69.035
_cell_angle_gamma   31.446
_symmetry_Int_Tables_number   1
_cell_volume   315.496
_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  0.745  0.755  1.0
  Na  Na1  1  0.344  0.330  0.655  1.0
  Na  Na2  1  0.593  0.577  0.913  1.0
  Na  Na3  1  0.916  0.911  0.594  1.0
  Na  Na4  1  0.495  0.500  0.502  1.0
  Na  Na5  1  0.659  0.669  0.331  1.0
  Ca  Ca6  1  0.828  0.837  0.164  1.0
  Ca  Ca7  1  0.174  0.161  0.830  1.0
  Ca  Ca8  1  0.414  0.420  0.086  1.0
  Ca  Ca9  1  0.087  0.075  0.423  1.0
  Ta  Ta10  1  0.994  0.002  0.006  1.0
  Ta  Ta11  1  0.252  0.252  0.253  1.0
  O  O12  1  0.458  0.038  0.469  1.0
  O  O13  1  0.031  0.467  0.047  1.0
  O  O14  1  0.780  0.220  0.794  1.0
  O  O15  1  0.210  0.785  0.213  1.0
  O  O16  1  0.958  0.392  0.542  1.0
  O  O17  1  0.109  0.542  0.379  1.0
  O  O18  1  0.551  0.100  0.961  1.0
  O  O19  1  0.381  0.967  0.111  1.0
  O  O20  1  0.860  0.286  0.155  1.0
  O  O21  1  0.151  0.706  0.857  1.0
  O  O22  1  0.708  0.143  0.276  1.0
  O  O23  1  0.289  0.858  0.698  1.0
[/CIF]
.
The crystal structure described by Na3Ca2TaO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Na site, Na(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form NaO6 octahedra that share corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the third Na site, Na(3) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Na site, Na(4) is bonded to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the fifth Na site, Na(5) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth Na site, Na(6) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the second Ca site, Ca(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. In the third Ca site, Ca(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(6), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(4)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-19°. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form TaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(6)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(5)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, and edges with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(4)O6 octahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ca(4)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(6), one Ca(1), one Ca(2), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Na(6), one Ca(1), one Ca(2), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Na(5), one Ca(3), one Ca(4), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Na(5), one Ca(3), one Ca(4), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the fifth O site, O(5) is bonded to one Na(1), one Na(3), one Na(6), one Ca(2), one Ca(4), and one Ta(2) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), one Ca(3), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), one Ca(3), and one Ta(2) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Na(6), one Ca(2), one Ca(4), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the ninth O site, O(9) is bonded to one Na(3), one Na(5), one Na(6), one Ca(2), one Ca(4), and one Ta(1) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the tenth O site, O(10) is bonded to one Na(2), one Na(4), one Na(5), one Ca(1), one Ca(3), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the eleventh O site, O(11) is bonded to one Na(2), one Na(4), one Na(5), one Ca(1), one Ca(3), and one Ta(1) atom to form a mixture of distorted corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the twelfth O site, O(12) is bonded to one Na(3), one Na(5), one Na(6), one Ca(2), one Ca(4), and one Ta(1) atom to form a mixture of corner and edge-sharing ONa3Ca2Ta octahedra. The corner-sharing octahedral tilt angles range from 4-11°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ca2TaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.994
_cell_length_b   10.440
_cell_length_c   5.833
_cell_angle_alpha   79.519
_cell_angle_beta   69.035
_cell_angle_gamma   31.446
_symmetry_Int_Tables_number   1
_cell_volume   315.496
_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  0.745  0.755  1.0
  Na  Na1  1  0.344  0.330  0.655  1.0
  Na  Na2  1  0.593  0.577  0.913  1.0
  Na  Na3  1  0.916  0.911  0.594  1.0
  Na  Na4  1  0.495  0.500  0.502  1.0
  Na  Na5  1  0.659  0.669  0.331  1.0
  Ca  Ca6  1  0.828  0.837  0.164  1.0
  Ca  Ca7  1  0.174  0.161  0.830  1.0
  Ca  Ca8  1  0.414  0.420  0.086  1.0
  Ca  Ca9  1  0.087  0.075  0.423  1.0
  Ta  Ta10  1  0.994  0.002  0.006  1.0
  Ta  Ta11  1  0.252  0.252  0.253  1.0
  O  O12  1  0.458  0.038  0.469  1.0
  O  O13  1  0.031  0.467  0.047  1.0
  O  O14  1  0.780  0.220  0.794  1.0
  O  O15  1  0.210  0.785  0.213  1.0
  O  O16  1  0.958  0.392  0.542  1.0
  O  O17  1  0.109  0.542  0.379  1.0
  O  O18  1  0.551  0.100  0.961  1.0
  O  O19  1  0.381  0.967  0.111  1.0
  O  O20  1  0.860  0.286  0.155  1.0
  O  O21  1  0.151  0.706  0.857  1.0
  O  O22  1  0.708  0.143  0.276  1.0
  O  O23  1  0.289  0.858  0.698  1.0
[/CIF]
.