The structure described by NdHO is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. H(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form HNd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent H(1)Nd4 tetrahedra, and edges with four equivalent O(1)Nd4 tetrahedra. O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent H(1)Nd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   7.885
_cell_length_c   5.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.527
_cell_formula_units_Z   8
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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.000  1.0
  Nd  Nd2  1  0.500  0.000  0.054  1.0
  Nd  Nd3  1  0.000  0.500  0.946  1.0
  Nd  Nd4  1  0.250  0.750  0.500  1.0
  Nd  Nd5  1  0.250  0.250  0.500  1.0
  Nd  Nd6  1  0.750  0.750  0.500  1.0
  Nd  Nd7  1  0.750  0.250  0.500  1.0
  H  H8  1  0.500  0.230  0.753  1.0
  H  H9  1  0.500  0.770  0.753  1.0
  H  H10  1  0.730  0.000  0.753  1.0
  H  H11  1  0.270  0.000  0.753  1.0
  H  H12  1  0.000  0.270  0.247  1.0
  H  H13  1  0.000  0.730  0.247  1.0
  H  H14  1  0.770  0.500  0.247  1.0
  H  H15  1  0.230  0.500  0.247  1.0
  O  O16  1  0.500  0.265  0.256  1.0
  O  O17  1  0.500  0.735  0.256  1.0
  O  O18  1  0.765  0.000  0.256  1.0
  O  O19  1  0.235  0.000  0.256  1.0
  O  O20  1  0.000  0.235  0.744  1.0
  O  O21  1  0.000  0.765  0.744  1.0
  O  O22  1  0.735  0.500  0.744  1.0
  O  O23  1  0.265  0.500  0.744  1.0
[/CIF]
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The structure described by NdHO is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. In the third Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent H(1) and four equivalent O(1) atoms. H(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form HNd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent H(1)Nd4 tetrahedra, and edges with four equivalent O(1)Nd4 tetrahedra. O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with eight equivalent H(1)Nd4 tetrahedra, corners with eight equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent H(1)Nd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.885
_cell_length_b   7.885
_cell_length_c   5.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.527
_cell_formula_units_Z   8
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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.000  1.0
  Nd  Nd2  1  0.500  0.000  0.054  1.0
  Nd  Nd3  1  0.000  0.500  0.946  1.0
  Nd  Nd4  1  0.250  0.750  0.500  1.0
  Nd  Nd5  1  0.250  0.250  0.500  1.0
  Nd  Nd6  1  0.750  0.750  0.500  1.0
  Nd  Nd7  1  0.750  0.250  0.500  1.0
  H  H8  1  0.500  0.230  0.753  1.0
  H  H9  1  0.500  0.770  0.753  1.0
  H  H10  1  0.730  0.000  0.753  1.0
  H  H11  1  0.270  0.000  0.753  1.0
  H  H12  1  0.000  0.270  0.247  1.0
  H  H13  1  0.000  0.730  0.247  1.0
  H  H14  1  0.770  0.500  0.247  1.0
  H  H15  1  0.230  0.500  0.247  1.0
  O  O16  1  0.500  0.265  0.256  1.0
  O  O17  1  0.500  0.735  0.256  1.0
  O  O18  1  0.765  0.000  0.256  1.0
  O  O19  1  0.235  0.000  0.256  1.0
  O  O20  1  0.000  0.235  0.744  1.0
  O  O21  1  0.000  0.765  0.744  1.0
  O  O22  1  0.735  0.500  0.744  1.0
  O  O23  1  0.265  0.500  0.744  1.0
[/CIF]
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