The material structure described by Na2FeTi(PO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one P(4) atom to form distorted corner-sharing ONa3FeP trigonal bipyramids. is represented by the CIF card [CIF]
data_Na2TiFe(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.650
_cell_length_c   8.738
_cell_angle_alpha   60.216
_cell_angle_beta   60.216
_cell_angle_gamma   60.112
_symmetry_Int_Tables_number   1
_cell_volume   464.190
_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  0.995  0.484  0.750  1.0
  Na  Na1  1  0.516  0.005  0.250  1.0
  Na  Na2  1  0.250  0.384  0.991  1.0
  Na  Na3  1  0.616  0.750  0.009  1.0
  Ti  Ti4  1  0.140  0.643  0.322  1.0
  Ti  Ti5  1  0.357  0.860  0.678  1.0
  Fe  Fe6  1  0.653  0.147  0.806  1.0
  Fe  Fe7  1  0.853  0.347  0.194  1.0
  P  P8  1  0.749  0.951  0.513  1.0
  P  P9  1  0.049  0.251  0.487  1.0
  P  P10  1  0.458  0.542  0.500  1.0
  P  P11  1  0.539  0.461  0.000  1.0
  P  P12  1  0.958  0.755  0.001  1.0
  P  P13  1  0.245  0.042  0.999  1.0
  O  O14  1  0.298  0.004  0.823  1.0
  O  O15  1  0.500  0.632  0.828  1.0
  O  O16  1  0.919  0.770  0.495  1.0
  O  O17  1  0.129  0.799  0.830  1.0
  O  O18  1  0.791  0.124  0.349  1.0
  O  O19  1  0.583  0.933  0.510  1.0
  O  O20  1  0.067  0.417  0.490  1.0
  O  O21  1  0.230  0.081  0.505  1.0
  O  O22  1  0.432  0.725  0.514  1.0
  O  O23  1  0.368  0.500  0.172  1.0
  O  O24  1  0.719  0.446  0.007  1.0
  O  O25  1  0.996  0.702  0.177  1.0
  O  O26  1  0.035  0.297  0.300  1.0
  O  O27  1  0.275  0.568  0.486  1.0
  O  O28  1  0.625  0.518  0.323  1.0
  O  O29  1  0.554  0.281  0.993  1.0
  O  O30  1  0.774  0.921  0.998  1.0
  O  O31  1  0.941  0.588  0.998  1.0
  O  O32  1  0.412  0.059  0.002  1.0
  O  O33  1  0.201  0.871  0.170  1.0
  O  O34  1  0.876  0.209  0.651  1.0
  O  O35  1  0.079  0.226  0.002  1.0
  O  O36  1  0.482  0.375  0.677  1.0
  O  O37  1  0.703  0.965  0.700  1.0
[/CIF]
.
The material structure described by Na2FeTi(PO4)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(12) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. In the second P site, P(2) is bonded to two equivalent O(10) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. In the third P site, P(3) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(12), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one P(4) atom. In the twelfth O site, O(12) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one P(4) atom to form distorted corner-sharing ONa3FeP trigonal bipyramids. is represented by the CIF card [CIF]
data_Na2TiFe(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.650
_cell_length_c   8.738
_cell_angle_alpha   60.216
_cell_angle_beta   60.216
_cell_angle_gamma   60.112
_symmetry_Int_Tables_number   1
_cell_volume   464.190
_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  0.995  0.484  0.750  1.0
  Na  Na1  1  0.516  0.005  0.250  1.0
  Na  Na2  1  0.250  0.384  0.991  1.0
  Na  Na3  1  0.616  0.750  0.009  1.0
  Ti  Ti4  1  0.140  0.643  0.322  1.0
  Ti  Ti5  1  0.357  0.860  0.678  1.0
  Fe  Fe6  1  0.653  0.147  0.806  1.0
  Fe  Fe7  1  0.853  0.347  0.194  1.0
  P  P8  1  0.749  0.951  0.513  1.0
  P  P9  1  0.049  0.251  0.487  1.0
  P  P10  1  0.458  0.542  0.500  1.0
  P  P11  1  0.539  0.461  0.000  1.0
  P  P12  1  0.958  0.755  0.001  1.0
  P  P13  1  0.245  0.042  0.999  1.0
  O  O14  1  0.298  0.004  0.823  1.0
  O  O15  1  0.500  0.632  0.828  1.0
  O  O16  1  0.919  0.770  0.495  1.0
  O  O17  1  0.129  0.799  0.830  1.0
  O  O18  1  0.791  0.124  0.349  1.0
  O  O19  1  0.583  0.933  0.510  1.0
  O  O20  1  0.067  0.417  0.490  1.0
  O  O21  1  0.230  0.081  0.505  1.0
  O  O22  1  0.432  0.725  0.514  1.0
  O  O23  1  0.368  0.500  0.172  1.0
  O  O24  1  0.719  0.446  0.007  1.0
  O  O25  1  0.996  0.702  0.177  1.0
  O  O26  1  0.035  0.297  0.300  1.0
  O  O27  1  0.275  0.568  0.486  1.0
  O  O28  1  0.625  0.518  0.323  1.0
  O  O29  1  0.554  0.281  0.993  1.0
  O  O30  1  0.774  0.921  0.998  1.0
  O  O31  1  0.941  0.588  0.998  1.0
  O  O32  1  0.412  0.059  0.002  1.0
  O  O33  1  0.201  0.871  0.170  1.0
  O  O34  1  0.876  0.209  0.651  1.0
  O  O35  1  0.079  0.226  0.002  1.0
  O  O36  1  0.482  0.375  0.677  1.0
  O  O37  1  0.703  0.965  0.700  1.0
[/CIF]
.