The material structure described by NdAl11O18 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(7) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(9) atom. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the fourth Al site, Al(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the fifth Al site, Al(5) is bonded in a distorted tetrahedral geometry to one O(1), one O(3), one O(4), and one O(8) atom. In the sixth Al site, Al(6) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(9), and two equivalent O(7) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Al(1), one Al(3), one Al(4), and one Al(5) atom. In the second O site, O(2) is bonded to one Nd(1), one Al(1), one Al(3), and one Al(4) atom to form distorted corner-sharing ONdAl3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted water-like geometry to one Al(1), one Al(2), one Al(3), and one Al(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one Al(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Al(1), one Al(3), and one Al(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Al(3), one Al(4), and one Al(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1) and two equivalent Al(6) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one Al(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Al(1), one Al(4), and one Al(6) atom. is represented by the CIF file [CIF]
data_NdAl11O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   5.643
_cell_length_c   11.506
_cell_angle_alpha   102.980
_cell_angle_beta   89.988
_cell_angle_gamma   118.417
_symmetry_Int_Tables_number   1
_cell_volume   309.799
_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
  Nd  Nd0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.399  0.095  0.218  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.898  0.588  0.224  1.0
  Al  Al4  1  0.892  0.098  0.207  1.0
  Al  Al5  1  0.648  0.354  0.944  1.0
  Al  Al6  1  0.546  0.458  0.627  1.0
  Al  Al7  1  0.454  0.542  0.373  1.0
  Al  Al8  1  0.352  0.646  0.056  1.0
  Al  Al9  1  0.108  0.902  0.793  1.0
  Al  Al10  1  0.102  0.412  0.776  1.0
  Al  Al11  1  0.601  0.905  0.782  1.0
  O  O12  1  0.693  0.292  0.108  1.0
  O  O13  1  0.915  0.099  0.707  1.0
  O  O14  1  0.191  0.809  0.107  1.0
  O  O15  1  0.280  0.187  0.897  1.0
  O  O16  1  0.425  0.605  0.712  1.0
  O  O17  1  0.084  0.382  0.291  1.0
  O  O18  1  0.729  0.555  0.497  1.0
  O  O19  1  0.819  0.726  0.903  1.0
  O  O20  1  0.602  0.909  0.304  1.0
  O  O21  1  0.398  0.091  0.696  1.0
  O  O22  1  0.181  0.274  0.097  1.0
  O  O23  1  0.271  0.445  0.503  1.0
  O  O24  1  0.916  0.618  0.709  1.0
  O  O25  1  0.575  0.395  0.288  1.0
  O  O26  1  0.720  0.813  0.103  1.0
  O  O27  1  0.809  0.191  0.893  1.0
  O  O28  1  0.307  0.708  0.892  1.0
  O  O29  1  0.085  0.901  0.293  1.0
[/CIF]
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The material structure described by NdAl11O18 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(7) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(9) atom. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the fourth Al site, Al(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the fifth Al site, Al(5) is bonded in a distorted tetrahedral geometry to one O(1), one O(3), one O(4), and one O(8) atom. In the sixth Al site, Al(6) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(9), and two equivalent O(7) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Al(1), one Al(3), one Al(4), and one Al(5) atom. In the second O site, O(2) is bonded to one Nd(1), one Al(1), one Al(3), and one Al(4) atom to form distorted corner-sharing ONdAl3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted water-like geometry to one Al(1), one Al(2), one Al(3), and one Al(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one Al(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Al(1), one Al(3), and one Al(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Al(3), one Al(4), and one Al(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1) and two equivalent Al(6) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one Al(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Al(1), one Al(4), and one Al(6) atom. is represented by the CIF file [CIF]
data_NdAl11O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   5.643
_cell_length_c   11.506
_cell_angle_alpha   102.980
_cell_angle_beta   89.988
_cell_angle_gamma   118.417
_symmetry_Int_Tables_number   1
_cell_volume   309.799
_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
  Nd  Nd0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.399  0.095  0.218  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.898  0.588  0.224  1.0
  Al  Al4  1  0.892  0.098  0.207  1.0
  Al  Al5  1  0.648  0.354  0.944  1.0
  Al  Al6  1  0.546  0.458  0.627  1.0
  Al  Al7  1  0.454  0.542  0.373  1.0
  Al  Al8  1  0.352  0.646  0.056  1.0
  Al  Al9  1  0.108  0.902  0.793  1.0
  Al  Al10  1  0.102  0.412  0.776  1.0
  Al  Al11  1  0.601  0.905  0.782  1.0
  O  O12  1  0.693  0.292  0.108  1.0
  O  O13  1  0.915  0.099  0.707  1.0
  O  O14  1  0.191  0.809  0.107  1.0
  O  O15  1  0.280  0.187  0.897  1.0
  O  O16  1  0.425  0.605  0.712  1.0
  O  O17  1  0.084  0.382  0.291  1.0
  O  O18  1  0.729  0.555  0.497  1.0
  O  O19  1  0.819  0.726  0.903  1.0
  O  O20  1  0.602  0.909  0.304  1.0
  O  O21  1  0.398  0.091  0.696  1.0
  O  O22  1  0.181  0.274  0.097  1.0
  O  O23  1  0.271  0.445  0.503  1.0
  O  O24  1  0.916  0.618  0.709  1.0
  O  O25  1  0.575  0.395  0.288  1.0
  O  O26  1  0.720  0.813  0.103  1.0
  O  O27  1  0.809  0.191  0.893  1.0
  O  O28  1  0.307  0.708  0.892  1.0
  O  O29  1  0.085  0.901  0.293  1.0
[/CIF]
.