The compound described by LiNdP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one P(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), one Nd(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Nd(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Nd(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.206
_cell_length_b   9.206
_cell_length_c   10.212
_cell_angle_alpha   56.389
_cell_angle_beta   56.389
_cell_angle_gamma   45.875
_symmetry_Int_Tables_number   1
_cell_volume   496.563
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.228  0.772  0.250  1.0
  Nd  Nd3  1  0.772  0.228  0.750  1.0
  P  P4  1  0.690  0.011  0.206  1.0
  P  P5  1  0.989  0.310  0.294  1.0
  P  P6  1  0.310  0.989  0.794  1.0
  P  P7  1  0.011  0.690  0.706  1.0
  P  P8  1  0.584  0.687  0.389  1.0
  P  P9  1  0.313  0.416  0.111  1.0
  P  P10  1  0.416  0.313  0.611  1.0
  P  P11  1  0.687  0.584  0.889  1.0
  O  O12  1  0.764  1.000  0.035  1.0
  O  O13  1  0.000  0.236  0.465  1.0
  O  O14  1  0.236  0.000  0.965  1.0
  O  O15  1  1.000  0.764  0.535  1.0
  O  O16  1  0.842  0.998  0.235  1.0
  O  O17  1  0.002  0.158  0.265  1.0
  O  O18  1  0.158  0.002  0.765  1.0
  O  O19  1  0.998  0.842  0.735  1.0
  O  O20  1  0.458  0.222  0.236  1.0
  O  O21  1  0.778  0.542  0.264  1.0
  O  O22  1  0.580  0.562  0.564  1.0
  O  O23  1  0.438  0.420  0.936  1.0
  O  O24  1  0.420  0.438  0.436  1.0
  O  O25  1  0.562  0.580  0.064  1.0
  O  O26  1  0.833  0.651  0.848  1.0
  O  O27  1  0.349  0.167  0.652  1.0
  O  O28  1  0.167  0.349  0.152  1.0
  O  O29  1  0.651  0.833  0.348  1.0
  O  O30  1  0.819  0.391  0.835  1.0
  O  O31  1  0.609  0.181  0.665  1.0
  O  O32  1  0.181  0.609  0.165  1.0
  O  O33  1  0.391  0.819  0.335  1.0
  O  O34  1  0.222  0.458  0.736  1.0
  O  O35  1  0.542  0.778  0.764  1.0
[/CIF]
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The compound described by LiNdP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one P(2) atom. In the third O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1), one Nd(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Nd(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Nd(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.206
_cell_length_b   9.206
_cell_length_c   10.212
_cell_angle_alpha   56.389
_cell_angle_beta   56.389
_cell_angle_gamma   45.875
_symmetry_Int_Tables_number   1
_cell_volume   496.563
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Nd  Nd2  1  0.228  0.772  0.250  1.0
  Nd  Nd3  1  0.772  0.228  0.750  1.0
  P  P4  1  0.690  0.011  0.206  1.0
  P  P5  1  0.989  0.310  0.294  1.0
  P  P6  1  0.310  0.989  0.794  1.0
  P  P7  1  0.011  0.690  0.706  1.0
  P  P8  1  0.584  0.687  0.389  1.0
  P  P9  1  0.313  0.416  0.111  1.0
  P  P10  1  0.416  0.313  0.611  1.0
  P  P11  1  0.687  0.584  0.889  1.0
  O  O12  1  0.764  1.000  0.035  1.0
  O  O13  1  0.000  0.236  0.465  1.0
  O  O14  1  0.236  0.000  0.965  1.0
  O  O15  1  1.000  0.764  0.535  1.0
  O  O16  1  0.842  0.998  0.235  1.0
  O  O17  1  0.002  0.158  0.265  1.0
  O  O18  1  0.158  0.002  0.765  1.0
  O  O19  1  0.998  0.842  0.735  1.0
  O  O20  1  0.458  0.222  0.236  1.0
  O  O21  1  0.778  0.542  0.264  1.0
  O  O22  1  0.580  0.562  0.564  1.0
  O  O23  1  0.438  0.420  0.936  1.0
  O  O24  1  0.420  0.438  0.436  1.0
  O  O25  1  0.562  0.580  0.064  1.0
  O  O26  1  0.833  0.651  0.848  1.0
  O  O27  1  0.349  0.167  0.652  1.0
  O  O28  1  0.167  0.349  0.152  1.0
  O  O29  1  0.651  0.833  0.348  1.0
  O  O30  1  0.819  0.391  0.835  1.0
  O  O31  1  0.609  0.181  0.665  1.0
  O  O32  1  0.181  0.609  0.165  1.0
  O  O33  1  0.391  0.819  0.335  1.0
  O  O34  1  0.222  0.458  0.736  1.0
  O  O35  1  0.542  0.778  0.764  1.0
[/CIF]
.