The material described by LiNdGeO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Ge(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_LiNdGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.456
_cell_length_c   12.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.879
_cell_formula_units_Z   4
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  0.500  0.250  0.733  1.0
  Li  Li1  1  0.500  0.750  0.267  1.0
  Li  Li2  1  0.000  0.750  0.767  1.0
  Li  Li3  1  0.000  0.250  0.233  1.0
  Nd  Nd4  1  0.500  0.250  0.387  1.0
  Nd  Nd5  1  0.500  0.750  0.613  1.0
  Nd  Nd6  1  0.000  0.250  0.887  1.0
  Nd  Nd7  1  0.000  0.750  0.113  1.0
  Ge  Ge8  1  0.500  0.750  0.890  1.0
  Ge  Ge9  1  0.500  0.250  0.110  1.0
  Ge  Ge10  1  0.000  0.750  0.390  1.0
  Ge  Ge11  1  0.000  0.250  0.610  1.0
  O  O12  1  0.249  0.585  0.957  1.0
  O  O13  1  0.251  0.585  0.457  1.0
  O  O14  1  0.676  0.547  0.798  1.0
  O  O15  1  0.676  0.047  0.202  1.0
  O  O16  1  0.824  0.047  0.702  1.0
  O  O17  1  0.324  0.453  0.202  1.0
  O  O18  1  0.324  0.953  0.798  1.0
  O  O19  1  0.749  0.915  0.457  1.0
  O  O20  1  0.824  0.547  0.298  1.0
  O  O21  1  0.251  0.085  0.543  1.0
  O  O22  1  0.249  0.085  0.043  1.0
  O  O23  1  0.176  0.953  0.298  1.0
  O  O24  1  0.751  0.915  0.957  1.0
  O  O25  1  0.751  0.415  0.043  1.0
  O  O26  1  0.749  0.415  0.543  1.0
  O  O27  1  0.176  0.453  0.702  1.0
[/CIF]
.
The material described by LiNdGeO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Ge(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_LiNdGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.456
_cell_length_c   12.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.879
_cell_formula_units_Z   4
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  0.500  0.250  0.733  1.0
  Li  Li1  1  0.500  0.750  0.267  1.0
  Li  Li2  1  0.000  0.750  0.767  1.0
  Li  Li3  1  0.000  0.250  0.233  1.0
  Nd  Nd4  1  0.500  0.250  0.387  1.0
  Nd  Nd5  1  0.500  0.750  0.613  1.0
  Nd  Nd6  1  0.000  0.250  0.887  1.0
  Nd  Nd7  1  0.000  0.750  0.113  1.0
  Ge  Ge8  1  0.500  0.750  0.890  1.0
  Ge  Ge9  1  0.500  0.250  0.110  1.0
  Ge  Ge10  1  0.000  0.750  0.390  1.0
  Ge  Ge11  1  0.000  0.250  0.610  1.0
  O  O12  1  0.249  0.585  0.957  1.0
  O  O13  1  0.251  0.585  0.457  1.0
  O  O14  1  0.676  0.547  0.798  1.0
  O  O15  1  0.676  0.047  0.202  1.0
  O  O16  1  0.824  0.047  0.702  1.0
  O  O17  1  0.324  0.453  0.202  1.0
  O  O18  1  0.324  0.953  0.798  1.0
  O  O19  1  0.749  0.915  0.457  1.0
  O  O20  1  0.824  0.547  0.298  1.0
  O  O21  1  0.251  0.085  0.543  1.0
  O  O22  1  0.249  0.085  0.043  1.0
  O  O23  1  0.176  0.953  0.298  1.0
  O  O24  1  0.751  0.915  0.957  1.0
  O  O25  1  0.751  0.415  0.043  1.0
  O  O26  1  0.749  0.415  0.543  1.0
  O  O27  1  0.176  0.453  0.702  1.0
[/CIF]
.