The compound described by LiNd2(HO)6 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(3) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Nd(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Nd(2), and one H(6) atom. is represented by the CIF card [CIF]
data_LiNd2(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.538
_cell_length_b   7.629
_cell_length_c   3.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.757
_symmetry_Int_Tables_number   1
_cell_volume   195.696
_cell_formula_units_Z   1
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  0.440  0.493  0.750  1.0
  Nd  Nd1  1  0.246  0.694  0.250  1.0
  Nd  Nd2  1  0.731  0.330  0.750  1.0
  H  H3  1  0.954  0.740  0.250  1.0
  H  H4  1  0.679  0.979  0.250  1.0
  H  H5  1  0.225  0.300  0.250  1.0
  H  H6  1  0.022  0.271  0.750  1.0
  H  H7  1  0.279  0.018  0.750  1.0
  H  H8  1  0.796  0.754  0.750  1.0
  O  O9  1  0.940  0.599  0.250  1.0
  O  O10  1  0.618  0.041  0.250  1.0
  O  O11  1  0.340  0.486  0.250  1.0
  O  O12  1  0.040  0.416  0.750  1.0
  O  O13  1  0.356  0.976  0.750  1.0
  O  O14  1  0.677  0.572  0.750  1.0
[/CIF]
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The compound described by LiNd2(HO)6 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(3) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Nd(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Nd(2), and one H(6) atom. is represented by the CIF card [CIF]
data_LiNd2(HO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.538
_cell_length_b   7.629
_cell_length_c   3.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   135.757
_symmetry_Int_Tables_number   1
_cell_volume   195.696
_cell_formula_units_Z   1
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  0.440  0.493  0.750  1.0
  Nd  Nd1  1  0.246  0.694  0.250  1.0
  Nd  Nd2  1  0.731  0.330  0.750  1.0
  H  H3  1  0.954  0.740  0.250  1.0
  H  H4  1  0.679  0.979  0.250  1.0
  H  H5  1  0.225  0.300  0.250  1.0
  H  H6  1  0.022  0.271  0.750  1.0
  H  H7  1  0.279  0.018  0.750  1.0
  H  H8  1  0.796  0.754  0.750  1.0
  O  O9  1  0.940  0.599  0.250  1.0
  O  O10  1  0.618  0.041  0.250  1.0
  O  O11  1  0.340  0.486  0.250  1.0
  O  O12  1  0.040  0.416  0.750  1.0
  O  O13  1  0.356  0.976  0.750  1.0
  O  O14  1  0.677  0.572  0.750  1.0
[/CIF]
.