The compound described by LiNdBO4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(4) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing OLiNd2B trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one B(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Nd(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Nd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_LiNdBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   4.901
_cell_length_c   5.186
_cell_angle_alpha   69.673
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.044
_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  0.816  0.512  0.538  1.0
  Li  Li1  1  0.316  0.488  0.462  1.0
  Nd  Nd2  1  0.080  0.809  0.913  1.0
  Nd  Nd3  1  0.580  0.191  0.087  1.0
  B  B4  1  0.592  0.861  0.696  1.0
  B  B5  1  0.092  0.139  0.304  1.0
  O  O6  1  0.750  0.664  0.857  1.0
  O  O7  1  0.250  0.336  0.143  1.0
  O  O8  1  0.426  0.895  0.869  1.0
  O  O9  1  0.926  0.105  0.131  1.0
  O  O10  1  0.655  0.174  0.585  1.0
  O  O11  1  0.155  0.826  0.415  1.0
  O  O12  1  0.036  0.246  0.524  1.0
  O  O13  1  0.536  0.754  0.476  1.0
[/CIF]
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The compound described by LiNdBO4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(4) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing OLiNd2B trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one B(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), two equivalent Nd(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Nd(1), and one B(1) atom. is represented by the CIF card [CIF]
data_LiNdBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   4.901
_cell_length_c   5.186
_cell_angle_alpha   69.673
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.044
_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  0.816  0.512  0.538  1.0
  Li  Li1  1  0.316  0.488  0.462  1.0
  Nd  Nd2  1  0.080  0.809  0.913  1.0
  Nd  Nd3  1  0.580  0.191  0.087  1.0
  B  B4  1  0.592  0.861  0.696  1.0
  B  B5  1  0.092  0.139  0.304  1.0
  O  O6  1  0.750  0.664  0.857  1.0
  O  O7  1  0.250  0.336  0.143  1.0
  O  O8  1  0.426  0.895  0.869  1.0
  O  O9  1  0.926  0.105  0.131  1.0
  O  O10  1  0.655  0.174  0.585  1.0
  O  O11  1  0.155  0.826  0.415  1.0
  O  O12  1  0.036  0.246  0.524  1.0
  O  O13  1  0.536  0.754  0.476  1.0
[/CIF]
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