The crystal structure described by LiNdP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), 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(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Nd(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 2-coordinate geometry to one Nd(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nd(1), and one P(1) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.087
_cell_length_b   9.087
_cell_length_c   9.916
_cell_angle_alpha   56.946
_cell_angle_beta   56.946
_cell_angle_gamma   46.515
_symmetry_Int_Tables_number   1
_cell_volume   478.044
_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  0.703  0.297  0.750  1.0
  Li  Li1  1  0.297  0.703  0.250  1.0
  Nd  Nd2  1  0.202  0.798  0.750  1.0
  Nd  Nd3  1  0.798  0.202  0.250  1.0
  P  P4  1  0.992  0.303  0.802  1.0
  P  P5  1  0.697  0.008  0.698  1.0
  P  P6  1  0.008  0.697  0.198  1.0
  P  P7  1  0.303  0.992  0.302  1.0
  P  P8  1  0.584  0.693  0.886  1.0
  P  P9  1  0.307  0.416  0.614  1.0
  P  P10  1  0.416  0.307  0.114  1.0
  P  P11  1  0.693  0.584  0.386  1.0
  O  O12  1  0.780  0.537  0.770  1.0
  O  O13  1  0.463  0.220  0.730  1.0
  O  O14  1  0.220  0.463  0.230  1.0
  O  O15  1  0.537  0.780  0.270  1.0
  O  O16  1  0.660  0.829  0.852  1.0
  O  O17  1  0.171  0.340  0.648  1.0
  O  O18  1  0.340  0.171  0.148  1.0
  O  O19  1  0.829  0.660  0.352  1.0
  O  O20  1  0.574  0.562  0.570  1.0
  O  O21  1  0.438  0.426  0.930  1.0
  O  O22  1  0.426  0.438  0.430  1.0
  O  O23  1  0.562  0.574  0.070  1.0
  O  O24  1  0.827  0.399  0.320  1.0
  O  O25  1  0.601  0.173  0.180  1.0
  O  O26  1  0.173  0.601  0.680  1.0
  O  O27  1  0.399  0.827  0.820  1.0
  O  O28  1  0.241  0.014  0.467  1.0
  O  O29  1  0.986  0.759  0.033  1.0
  O  O30  1  0.759  0.986  0.533  1.0
  O  O31  1  0.014  0.241  0.967  1.0
  O  O32  1  0.169  0.981  0.268  1.0
  O  O33  1  0.019  0.831  0.232  1.0
  O  O34  1  0.831  0.019  0.732  1.0
  O  O35  1  0.981  0.169  0.768  1.0
[/CIF]
.
The crystal structure described by LiNdP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), 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(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Nd(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 2-coordinate geometry to one Nd(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nd(1), and one P(1) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.087
_cell_length_b   9.087
_cell_length_c   9.916
_cell_angle_alpha   56.946
_cell_angle_beta   56.946
_cell_angle_gamma   46.515
_symmetry_Int_Tables_number   1
_cell_volume   478.044
_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  0.703  0.297  0.750  1.0
  Li  Li1  1  0.297  0.703  0.250  1.0
  Nd  Nd2  1  0.202  0.798  0.750  1.0
  Nd  Nd3  1  0.798  0.202  0.250  1.0
  P  P4  1  0.992  0.303  0.802  1.0
  P  P5  1  0.697  0.008  0.698  1.0
  P  P6  1  0.008  0.697  0.198  1.0
  P  P7  1  0.303  0.992  0.302  1.0
  P  P8  1  0.584  0.693  0.886  1.0
  P  P9  1  0.307  0.416  0.614  1.0
  P  P10  1  0.416  0.307  0.114  1.0
  P  P11  1  0.693  0.584  0.386  1.0
  O  O12  1  0.780  0.537  0.770  1.0
  O  O13  1  0.463  0.220  0.730  1.0
  O  O14  1  0.220  0.463  0.230  1.0
  O  O15  1  0.537  0.780  0.270  1.0
  O  O16  1  0.660  0.829  0.852  1.0
  O  O17  1  0.171  0.340  0.648  1.0
  O  O18  1  0.340  0.171  0.148  1.0
  O  O19  1  0.829  0.660  0.352  1.0
  O  O20  1  0.574  0.562  0.570  1.0
  O  O21  1  0.438  0.426  0.930  1.0
  O  O22  1  0.426  0.438  0.430  1.0
  O  O23  1  0.562  0.574  0.070  1.0
  O  O24  1  0.827  0.399  0.320  1.0
  O  O25  1  0.601  0.173  0.180  1.0
  O  O26  1  0.173  0.601  0.680  1.0
  O  O27  1  0.399  0.827  0.820  1.0
  O  O28  1  0.241  0.014  0.467  1.0
  O  O29  1  0.986  0.759  0.033  1.0
  O  O30  1  0.759  0.986  0.533  1.0
  O  O31  1  0.014  0.241  0.967  1.0
  O  O32  1  0.169  0.981  0.268  1.0
  O  O33  1  0.019  0.831  0.232  1.0
  O  O34  1  0.831  0.019  0.732  1.0
  O  O35  1  0.981  0.169  0.768  1.0
[/CIF]
.