The material structure described by NaTaO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted bent 150 degrees geometry to one O(10), one O(12), and one O(16) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a bent 120 degrees geometry to one O(17) and one O(2) atom. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to one O(1), one O(11), and one O(16) atom. In the fifth Na site, Na(5) is bonded in a distorted single-bond geometry to one O(13), one O(14), one O(21), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 1-coordinate geometry to one O(16) and one O(20) atom. In the seventh Na site, Na(7) is bonded in a distorted linear geometry to one O(20), one O(21), and one O(9) atom. In the eighth Na site, Na(8) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(14), one O(22), and one O(9) atom. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one O(1), one O(22), one O(23), and one O(3) atom. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one O(11), one O(17), one O(5), and one O(7) atom. In the third Ta site, Ta(3) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(22), one O(3), one O(6), and one O(8) atom. In the fourth Ta site, Ta(4) is bonded in a 4-coordinate geometry to one O(19), one O(24), one O(4), and one O(7) atom. In the fifth Ta site, Ta(5) is bonded in a distorted linear geometry to one O(15), one O(18), one O(20), and one O(9) atom. In the sixth Ta site, Ta(6) is bonded in a 4-coordinate geometry to one O(13), one O(21), one O(24), and one O(6) atom. In the seventh Ta site, Ta(7) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(21), one O(23), and one O(8) atom. In the eighth Ta site, Ta(8) is bonded in a 3-coordinate geometry to one O(16), one O(19), one O(2), and one O(4) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Ta(1), and one Ta(7) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(3) and one Ta(8) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ta(1) and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ta(4), and one Ta(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(5), one Ta(3), one Ta(6), and one O(13) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(2), one Ta(2), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Ta(3), and one Ta(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(7), one Na(8), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Na(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Na(8), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(6), and one O(6) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(5), one Na(8), one Ta(3), and one Ta(7) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ta(5) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Na(6), and one Ta(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ta(2), and one Ta(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Ta(5) and one O(22) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Ta(4) and one Ta(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Na(6), one Na(7), and one Ta(5) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), one Ta(6), one Ta(7), and one O(24) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(8), one Ta(1), one Ta(3), and one O(18) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(7) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ta(4), one Ta(6), and one O(21) atom. is represented by the CIF file [CIF]
data_NaTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.428
_cell_length_b   7.437
_cell_length_c   12.672
_cell_angle_alpha   105.831
_cell_angle_beta   90.700
_cell_angle_gamma   118.770
_symmetry_Int_Tables_number   1
_cell_volume   581.743
_cell_formula_units_Z   8
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  0.435  0.965  0.524  1.0
  Na  Na1  1  0.196  0.446  0.772  1.0
  Na  Na2  1  0.224  0.003  0.762  1.0
  Na  Na3  1  0.779  0.028  0.746  1.0
  Na  Na4  1  0.812  0.574  0.227  1.0
  Na  Na5  1  0.535  0.537  0.486  1.0
  Na  Na6  1  0.250  0.994  0.246  1.0
  Na  Na7  1  0.957  0.443  0.026  1.0
  Ta  Ta8  1  0.994  0.993  0.002  1.0
  Ta  Ta9  1  0.737  0.496  0.752  1.0
  Ta  Ta10  1  0.514  0.510  0.994  1.0
  Ta  Ta11  1  0.934  0.459  0.512  1.0
  Ta  Ta12  1  0.242  0.491  0.254  1.0
  Ta  Ta13  1  0.700  0.998  0.300  1.0
  Ta  Ta14  1  0.513  0.007  0.996  1.0
  Ta  Ta15  1  0.924  0.954  0.515  1.0
  O  O16  1  0.866  0.145  0.961  1.0
  O  O17  1  0.981  0.838  0.613  1.0
  O  O18  1  0.875  0.769  0.957  1.0
  O  O19  1  0.968  0.203  0.548  1.0
  O  O20  1  0.779  0.675  0.820  1.0
  O  O21  1  0.655  0.737  0.154  1.0
  O  O22  1  0.836  0.397  0.653  1.0
  O  O23  1  0.511  0.785  0.948  1.0
  O  O24  1  0.287  0.756  0.152  1.0
  O  O25  1  0.351  0.742  0.445  1.0
  O  O26  1  0.781  0.300  0.826  1.0
  O  O27  1  0.567  0.236  0.572  1.0
  O  O28  1  0.818  0.825  0.290  1.0
  O  O29  1  0.556  0.266  0.022  1.0
  O  O30  1  0.146  0.575  0.355  1.0
  O  O31  1  0.553  0.753  0.587  1.0
  O  O32  1  0.366  0.290  0.819  1.0
  O  O33  1  0.286  0.383  0.149  1.0
  O  O34  1  0.960  0.750  0.467  1.0
  O  O35  1  0.195  0.232  0.355  1.0
  O  O36  1  0.676  0.153  0.206  1.0
  O  O37  1  0.203  0.277  0.008  1.0
  O  O38  1  0.181  0.888  0.019  1.0
  O  O39  1  0.839  0.235  0.333  1.0
[/CIF]
.
The material structure described by NaTaO3 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted bent 150 degrees geometry to one O(10), one O(12), and one O(16) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(11), one O(17), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a bent 120 degrees geometry to one O(17) and one O(2) atom. In the fourth Na site, Na(4) is bonded in a 2-coordinate geometry to one O(1), one O(11), and one O(16) atom. In the fifth Na site, Na(5) is bonded in a distorted single-bond geometry to one O(13), one O(14), one O(21), and one O(6) atom. In the sixth Na site, Na(6) is bonded in a 1-coordinate geometry to one O(16) and one O(20) atom. In the seventh Na site, Na(7) is bonded in a distorted linear geometry to one O(20), one O(21), and one O(9) atom. In the eighth Na site, Na(8) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(14), one O(22), and one O(9) atom. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one O(1), one O(22), one O(23), and one O(3) atom. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one O(11), one O(17), one O(5), and one O(7) atom. In the third Ta site, Ta(3) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(22), one O(3), one O(6), and one O(8) atom. In the fourth Ta site, Ta(4) is bonded in a 4-coordinate geometry to one O(19), one O(24), one O(4), and one O(7) atom. In the fifth Ta site, Ta(5) is bonded in a distorted linear geometry to one O(15), one O(18), one O(20), and one O(9) atom. In the sixth Ta site, Ta(6) is bonded in a 4-coordinate geometry to one O(13), one O(21), one O(24), and one O(6) atom. In the seventh Ta site, Ta(7) is bonded in a 5-coordinate geometry to one O(1), one O(14), one O(21), one O(23), and one O(8) atom. In the eighth Ta site, Ta(8) is bonded in a 3-coordinate geometry to one O(16), one O(19), one O(2), and one O(4) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Ta(1), and one Ta(7) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(3) and one Ta(8) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ta(1) and one Ta(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ta(4), and one Ta(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ta(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(5), one Ta(3), one Ta(6), and one O(13) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(2), one Ta(2), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Ta(3), and one Ta(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(7), one Na(8), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Na(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Na(8), and one Ta(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Na(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(6), and one O(6) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(5), one Na(8), one Ta(3), and one Ta(7) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ta(5) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Na(6), and one Ta(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ta(2), and one Ta(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one Ta(5) and one O(22) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Ta(4) and one Ta(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal non-coplanar geometry to one Na(6), one Na(7), and one Ta(5) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(5), one Na(7), one Ta(6), one Ta(7), and one O(24) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(8), one Ta(1), one Ta(3), and one O(18) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(7) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Ta(4), one Ta(6), and one O(21) atom. is represented by the CIF file [CIF]
data_NaTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.428
_cell_length_b   7.437
_cell_length_c   12.672
_cell_angle_alpha   105.831
_cell_angle_beta   90.700
_cell_angle_gamma   118.770
_symmetry_Int_Tables_number   1
_cell_volume   581.743
_cell_formula_units_Z   8
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  0.435  0.965  0.524  1.0
  Na  Na1  1  0.196  0.446  0.772  1.0
  Na  Na2  1  0.224  0.003  0.762  1.0
  Na  Na3  1  0.779  0.028  0.746  1.0
  Na  Na4  1  0.812  0.574  0.227  1.0
  Na  Na5  1  0.535  0.537  0.486  1.0
  Na  Na6  1  0.250  0.994  0.246  1.0
  Na  Na7  1  0.957  0.443  0.026  1.0
  Ta  Ta8  1  0.994  0.993  0.002  1.0
  Ta  Ta9  1  0.737  0.496  0.752  1.0
  Ta  Ta10  1  0.514  0.510  0.994  1.0
  Ta  Ta11  1  0.934  0.459  0.512  1.0
  Ta  Ta12  1  0.242  0.491  0.254  1.0
  Ta  Ta13  1  0.700  0.998  0.300  1.0
  Ta  Ta14  1  0.513  0.007  0.996  1.0
  Ta  Ta15  1  0.924  0.954  0.515  1.0
  O  O16  1  0.866  0.145  0.961  1.0
  O  O17  1  0.981  0.838  0.613  1.0
  O  O18  1  0.875  0.769  0.957  1.0
  O  O19  1  0.968  0.203  0.548  1.0
  O  O20  1  0.779  0.675  0.820  1.0
  O  O21  1  0.655  0.737  0.154  1.0
  O  O22  1  0.836  0.397  0.653  1.0
  O  O23  1  0.511  0.785  0.948  1.0
  O  O24  1  0.287  0.756  0.152  1.0
  O  O25  1  0.351  0.742  0.445  1.0
  O  O26  1  0.781  0.300  0.826  1.0
  O  O27  1  0.567  0.236  0.572  1.0
  O  O28  1  0.818  0.825  0.290  1.0
  O  O29  1  0.556  0.266  0.022  1.0
  O  O30  1  0.146  0.575  0.355  1.0
  O  O31  1  0.553  0.753  0.587  1.0
  O  O32  1  0.366  0.290  0.819  1.0
  O  O33  1  0.286  0.383  0.149  1.0
  O  O34  1  0.960  0.750  0.467  1.0
  O  O35  1  0.195  0.232  0.355  1.0
  O  O36  1  0.676  0.153  0.206  1.0
  O  O37  1  0.203  0.277  0.008  1.0
  O  O38  1  0.181  0.888  0.019  1.0
  O  O39  1  0.839  0.235  0.333  1.0
[/CIF]
.