The structure described by NdBO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and 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 B(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 B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one B(2) 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 B(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.291
_cell_length_b   6.585
_cell_length_c   6.573
_cell_angle_alpha   93.738
_cell_angle_beta   108.447
_cell_angle_gamma   108.274
_symmetry_Int_Tables_number   1
_cell_volume   241.139
_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
  Nd  Nd0  1  0.566  0.788  0.191  1.0
  Nd  Nd1  1  0.434  0.212  0.809  1.0
  Nd  Nd2  1  0.929  0.644  0.725  1.0
  Nd  Nd3  1  0.071  0.356  0.275  1.0
  B  B4  1  0.496  0.723  0.723  1.0
  B  B5  1  0.504  0.277  0.277  1.0
  B  B6  1  0.027  0.790  0.242  1.0
  B  B7  1  0.973  0.210  0.758  1.0
  O  O8  1  0.487  0.283  0.478  1.0
  O  O9  1  0.513  0.717  0.522  1.0
  O  O10  1  0.852  0.280  0.874  1.0
  O  O11  1  0.148  0.720  0.126  1.0
  O  O12  1  0.628  0.170  0.201  1.0
  O  O13  1  0.372  0.830  0.799  1.0
  O  O14  1  0.985  0.980  0.240  1.0
  O  O15  1  0.015  0.020  0.760  1.0
  O  O16  1  0.382  0.382  0.129  1.0
  O  O17  1  0.618  0.618  0.871  1.0
  O  O18  1  0.087  0.358  0.649  1.0
  O  O19  1  0.913  0.642  0.351  1.0
[/CIF]
.
The structure described by NdBO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and 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 B(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 B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Nd(2), two equivalent Nd(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one B(2) 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 B(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1), two equivalent Nd(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.291
_cell_length_b   6.585
_cell_length_c   6.573
_cell_angle_alpha   93.738
_cell_angle_beta   108.447
_cell_angle_gamma   108.274
_symmetry_Int_Tables_number   1
_cell_volume   241.139
_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
  Nd  Nd0  1  0.566  0.788  0.191  1.0
  Nd  Nd1  1  0.434  0.212  0.809  1.0
  Nd  Nd2  1  0.929  0.644  0.725  1.0
  Nd  Nd3  1  0.071  0.356  0.275  1.0
  B  B4  1  0.496  0.723  0.723  1.0
  B  B5  1  0.504  0.277  0.277  1.0
  B  B6  1  0.027  0.790  0.242  1.0
  B  B7  1  0.973  0.210  0.758  1.0
  O  O8  1  0.487  0.283  0.478  1.0
  O  O9  1  0.513  0.717  0.522  1.0
  O  O10  1  0.852  0.280  0.874  1.0
  O  O11  1  0.148  0.720  0.126  1.0
  O  O12  1  0.628  0.170  0.201  1.0
  O  O13  1  0.372  0.830  0.799  1.0
  O  O14  1  0.985  0.980  0.240  1.0
  O  O15  1  0.015  0.020  0.760  1.0
  O  O16  1  0.382  0.382  0.129  1.0
  O  O17  1  0.618  0.618  0.871  1.0
  O  O18  1  0.087  0.358  0.649  1.0
  O  O19  1  0.913  0.642  0.351  1.0
[/CIF]
.