The structure described by NaCa2Ta3O10 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded to four equivalent O(1) atoms to form corner-sharing NaO4 tetrahedra. Ca(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_NaCa2Ta3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.953
_cell_length_b   14.953
_cell_length_c   14.953
_cell_angle_alpha   164.835
_cell_angle_beta   164.835
_cell_angle_gamma   21.510
_symmetry_Int_Tables_number   1
_cell_volume   228.795
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Ca  Ca1  1  0.578  0.578  0.000  1.0
  Ca  Ca2  1  0.422  0.422  0.000  1.0
  Ta  Ta3  1  0.854  0.854  0.000  1.0
  Ta  Ta4  1  0.146  0.146  0.000  1.0
  Ta  Ta5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.793  0.793  0.000  1.0
  O  O7  1  0.207  0.207  0.000  1.0
  O  O8  1  0.933  0.933  0.000  1.0
  O  O9  1  0.067  0.067  0.000  1.0
  O  O10  1  0.368  0.868  0.500  1.0
  O  O11  1  0.869  0.369  0.500  1.0
  O  O12  1  0.631  0.131  0.500  1.0
  O  O13  1  0.132  0.632  0.500  1.0
  O  O14  1  0.500  1.000  0.500  1.0
  O  O15  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by NaCa2Ta3O10 crystallizes in the tetragonal I-4m2 space group. Na(1) is bonded to four equivalent O(1) atoms to form corner-sharing NaO4 tetrahedra. Ca(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Ta(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ca(1) and two equivalent Ta(2) atoms. is represented by the CIF card [CIF]
data_NaCa2Ta3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.953
_cell_length_b   14.953
_cell_length_c   14.953
_cell_angle_alpha   164.835
_cell_angle_beta   164.835
_cell_angle_gamma   21.510
_symmetry_Int_Tables_number   1
_cell_volume   228.795
_cell_formula_units_Z   1
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  0.250  0.750  0.500  1.0
  Ca  Ca1  1  0.578  0.578  0.000  1.0
  Ca  Ca2  1  0.422  0.422  0.000  1.0
  Ta  Ta3  1  0.854  0.854  0.000  1.0
  Ta  Ta4  1  0.146  0.146  0.000  1.0
  Ta  Ta5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.793  0.793  0.000  1.0
  O  O7  1  0.207  0.207  0.000  1.0
  O  O8  1  0.933  0.933  0.000  1.0
  O  O9  1  0.067  0.067  0.000  1.0
  O  O10  1  0.368  0.868  0.500  1.0
  O  O11  1  0.869  0.369  0.500  1.0
  O  O12  1  0.631  0.131  0.500  1.0
  O  O13  1  0.132  0.632  0.500  1.0
  O  O14  1  0.500  1.000  0.500  1.0
  O  O15  1  0.000  0.500  0.500  1.0
[/CIF]
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