The structure described by NdAl3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Al(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Al(2), and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Al(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. is represented by the CIF file [CIF]
data_NdAl3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   5.973
_cell_length_c   11.252
_cell_angle_alpha   81.732
_cell_angle_beta   81.732
_cell_angle_gamma   104.294
_symmetry_Int_Tables_number   1
_cell_volume   378.203
_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  0.037  0.963  0.750  1.0
  Nd  Nd1  1  0.963  0.037  0.250  1.0
  Al  Al2  1  0.589  0.411  0.750  1.0
  Al  Al3  1  0.411  0.589  0.250  1.0
  Al  Al4  1  0.305  0.805  0.472  1.0
  Al  Al5  1  0.195  0.695  0.028  1.0
  Al  Al6  1  0.695  0.195  0.528  1.0
  Al  Al7  1  0.805  0.305  0.972  1.0
  B  B8  1  0.720  0.777  0.006  1.0
  B  B9  1  0.223  0.280  0.494  1.0
  B  B10  1  0.280  0.223  0.994  1.0
  B  B11  1  0.777  0.720  0.506  1.0
  B  B12  1  0.508  0.879  0.778  1.0
  B  B13  1  0.121  0.492  0.722  1.0
  B  B14  1  0.492  0.121  0.222  1.0
  B  B15  1  0.879  0.508  0.278  1.0
  O  O16  1  0.730  0.645  0.258  1.0
  O  O17  1  0.355  0.270  0.242  1.0
  O  O18  1  0.270  0.355  0.742  1.0
  O  O19  1  0.645  0.730  0.758  1.0
  O  O20  1  0.821  0.304  0.363  1.0
  O  O21  1  0.696  0.179  0.137  1.0
  O  O22  1  0.179  0.696  0.637  1.0
  O  O23  1  0.304  0.821  0.863  1.0
  O  O24  1  0.003  0.807  0.438  1.0
  O  O25  1  0.193  0.997  0.062  1.0
  O  O26  1  0.997  0.193  0.562  1.0
  O  O27  1  0.807  0.003  0.938  1.0
  O  O28  1  0.302  0.507  0.426  1.0
  O  O29  1  0.493  0.698  0.074  1.0
  O  O30  1  0.698  0.493  0.574  1.0
  O  O31  1  0.507  0.302  0.926  1.0
  O  O32  1  0.631  0.869  0.497  1.0
  O  O33  1  0.131  0.369  0.003  1.0
  O  O34  1  0.369  0.131  0.503  1.0
  O  O35  1  0.869  0.631  0.997  1.0
  O  O36  1  0.104  0.577  0.205  1.0
  O  O37  1  0.423  0.896  0.295  1.0
  O  O38  1  0.896  0.423  0.795  1.0
  O  O39  1  0.577  0.104  0.705  1.0
[/CIF]
.
The structure described by NdAl3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Al(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Al(2), and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Al(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. is represented by the CIF file [CIF]
data_NdAl3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   5.973
_cell_length_c   11.252
_cell_angle_alpha   81.732
_cell_angle_beta   81.732
_cell_angle_gamma   104.294
_symmetry_Int_Tables_number   1
_cell_volume   378.203
_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  0.037  0.963  0.750  1.0
  Nd  Nd1  1  0.963  0.037  0.250  1.0
  Al  Al2  1  0.589  0.411  0.750  1.0
  Al  Al3  1  0.411  0.589  0.250  1.0
  Al  Al4  1  0.305  0.805  0.472  1.0
  Al  Al5  1  0.195  0.695  0.028  1.0
  Al  Al6  1  0.695  0.195  0.528  1.0
  Al  Al7  1  0.805  0.305  0.972  1.0
  B  B8  1  0.720  0.777  0.006  1.0
  B  B9  1  0.223  0.280  0.494  1.0
  B  B10  1  0.280  0.223  0.994  1.0
  B  B11  1  0.777  0.720  0.506  1.0
  B  B12  1  0.508  0.879  0.778  1.0
  B  B13  1  0.121  0.492  0.722  1.0
  B  B14  1  0.492  0.121  0.222  1.0
  B  B15  1  0.879  0.508  0.278  1.0
  O  O16  1  0.730  0.645  0.258  1.0
  O  O17  1  0.355  0.270  0.242  1.0
  O  O18  1  0.270  0.355  0.742  1.0
  O  O19  1  0.645  0.730  0.758  1.0
  O  O20  1  0.821  0.304  0.363  1.0
  O  O21  1  0.696  0.179  0.137  1.0
  O  O22  1  0.179  0.696  0.637  1.0
  O  O23  1  0.304  0.821  0.863  1.0
  O  O24  1  0.003  0.807  0.438  1.0
  O  O25  1  0.193  0.997  0.062  1.0
  O  O26  1  0.997  0.193  0.562  1.0
  O  O27  1  0.807  0.003  0.938  1.0
  O  O28  1  0.302  0.507  0.426  1.0
  O  O29  1  0.493  0.698  0.074  1.0
  O  O30  1  0.698  0.493  0.574  1.0
  O  O31  1  0.507  0.302  0.926  1.0
  O  O32  1  0.631  0.869  0.497  1.0
  O  O33  1  0.131  0.369  0.003  1.0
  O  O34  1  0.369  0.131  0.503  1.0
  O  O35  1  0.869  0.631  0.997  1.0
  O  O36  1  0.104  0.577  0.205  1.0
  O  O37  1  0.423  0.896  0.295  1.0
  O  O38  1  0.896  0.423  0.795  1.0
  O  O39  1  0.577  0.104  0.705  1.0
[/CIF]
.