The compound described by NdB2HF10 crystallizes in the monoclinic P2_1/m space group. Nd(1) is bonded in a 9-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(4), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second B site, B(2) is bonded in a tetrahedral geometry to one F(3), one F(6), and two equivalent F(7) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one B(1) and one H(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Nd(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Nd(1) and one B(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Nd(1) and one H(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Nd(1) and one B(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Nd(1) and one B(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdB2HF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   7.078
_cell_length_c   8.815
_cell_angle_alpha   67.457
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.212
_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
  Nd  Nd0  1  0.750  0.233  0.344  1.0
  Nd  Nd1  1  0.250  0.767  0.656  1.0
  B  B2  1  0.250  0.252  0.049  1.0
  B  B3  1  0.250  0.586  0.305  1.0
  B  B4  1  0.750  0.414  0.695  1.0
  B  B5  1  0.750  0.748  0.951  1.0
  H  H6  1  0.750  0.928  0.153  1.0
  H  H7  1  0.250  0.072  0.847  1.0
  F  F8  1  0.250  0.072  0.015  1.0
  F  F9  1  0.750  0.577  0.100  1.0
  F  F10  1  0.250  0.666  0.136  1.0
  F  F11  1  0.445  0.253  0.143  1.0
  F  F12  1  0.055  0.253  0.143  1.0
  F  F13  1  0.750  0.928  0.263  1.0
  F  F14  1  0.250  0.740  0.372  1.0
  F  F15  1  0.447  0.459  0.366  1.0
  F  F16  1  0.053  0.459  0.366  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.947  0.541  0.634  1.0
  F  F20  1  0.553  0.541  0.634  1.0
  F  F21  1  0.750  0.260  0.628  1.0
  F  F22  1  0.250  0.072  0.737  1.0
  F  F23  1  0.945  0.747  0.857  1.0
  F  F24  1  0.555  0.747  0.857  1.0
  F  F25  1  0.750  0.334  0.864  1.0
  F  F26  1  0.250  0.423  0.900  1.0
  F  F27  1  0.750  0.928  0.985  1.0
[/CIF]
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The compound described by NdB2HF10 crystallizes in the monoclinic P2_1/m space group. Nd(1) is bonded in a 9-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(4), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second B site, B(2) is bonded in a tetrahedral geometry to one F(3), one F(6), and two equivalent F(7) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(5) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one B(1) and one H(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Nd(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Nd(1) and one B(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Nd(1) and one H(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Nd(1) and one B(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Nd(1) and one B(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdB2HF10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   7.078
_cell_length_c   8.815
_cell_angle_alpha   67.457
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.212
_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
  Nd  Nd0  1  0.750  0.233  0.344  1.0
  Nd  Nd1  1  0.250  0.767  0.656  1.0
  B  B2  1  0.250  0.252  0.049  1.0
  B  B3  1  0.250  0.586  0.305  1.0
  B  B4  1  0.750  0.414  0.695  1.0
  B  B5  1  0.750  0.748  0.951  1.0
  H  H6  1  0.750  0.928  0.153  1.0
  H  H7  1  0.250  0.072  0.847  1.0
  F  F8  1  0.250  0.072  0.015  1.0
  F  F9  1  0.750  0.577  0.100  1.0
  F  F10  1  0.250  0.666  0.136  1.0
  F  F11  1  0.445  0.253  0.143  1.0
  F  F12  1  0.055  0.253  0.143  1.0
  F  F13  1  0.750  0.928  0.263  1.0
  F  F14  1  0.250  0.740  0.372  1.0
  F  F15  1  0.447  0.459  0.366  1.0
  F  F16  1  0.053  0.459  0.366  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.947  0.541  0.634  1.0
  F  F20  1  0.553  0.541  0.634  1.0
  F  F21  1  0.750  0.260  0.628  1.0
  F  F22  1  0.250  0.072  0.737  1.0
  F  F23  1  0.945  0.747  0.857  1.0
  F  F24  1  0.555  0.747  0.857  1.0
  F  F25  1  0.750  0.334  0.864  1.0
  F  F26  1  0.250  0.423  0.900  1.0
  F  F27  1  0.750  0.928  0.985  1.0
[/CIF]
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