The compound described by CaNdAl3O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Ca(1) and two equivalent Al(2) atoms to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(4)Ca2NdAl tetrahedra, corners with two equivalent O(3)CaNd2Al tetrahedra, and edges with two equivalent O(4)Ca2NdAl tetrahedra. In the second O site, O(6) is bonded to two equivalent Nd(1) and two equivalent Al(1) atoms to form distorted ONd2Al2 tetrahedra that share corners with two equivalent O(4)Ca2NdAl tetrahedra, corners with two equivalent O(3)CaNd2Al tetrahedra, and edges with two equivalent O(3)CaNd2Al tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Al(1), and one Al(3) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Al(2), and one Al(3) atom. In the fifth O site, O(3) is bonded to one Ca(1), two equivalent Nd(1), and one Al(1) atom to form distorted OCaNd2Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(6)Nd2Al2 tetrahedra, corners with four equivalent O(4)Ca2NdAl tetrahedra,  an edgeedge with one O(3)CaNd2Al tetrahedra, and  an edgeedge with one O(6)Nd2Al2 tetrahedra. In the sixth O site, O(4) is bonded to two equivalent Ca(1), one Nd(1), and one Al(2) atom to form distorted OCa2NdAl tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(6)Nd2Al2 tetrahedra, corners with four equivalent O(3)CaNd2Al tetrahedra,  an edgeedge with one O(5)Ca2Al2 tetrahedra, and  an edgeedge with one O(4)Ca2NdAl tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaNdAl3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.820
_cell_length_b   7.820
_cell_length_c   5.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.823
_symmetry_Int_Tables_number   1
_cell_volume   315.746
_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
  Ca  Ca0  1  0.660  0.660  0.484  1.0
  Ca  Ca1  1  0.340  0.340  0.484  1.0
  Nd  Nd2  1  0.837  0.163  0.509  1.0
  Nd  Nd3  1  0.163  0.837  0.509  1.0
  Al  Al4  1  0.855  0.855  0.041  1.0
  Al  Al5  1  0.642  0.358  0.958  1.0
  Al  Al6  1  0.145  0.145  0.041  1.0
  Al  Al7  1  0.358  0.642  0.958  1.0
  Al  Al8  1  0.500  0.000  0.004  1.0
  Al  Al9  1  0.000  0.500  0.004  1.0
  O  O10  1  0.663  0.914  0.200  1.0
  O  O11  1  0.840  0.407  0.804  1.0
  O  O12  1  0.337  0.086  0.200  1.0
  O  O13  1  0.160  0.593  0.804  1.0
  O  O14  1  0.407  0.840  0.804  1.0
  O  O15  1  0.086  0.337  0.200  1.0
  O  O16  1  0.593  0.160  0.804  1.0
  O  O17  1  0.914  0.663  0.200  1.0
  O  O18  1  0.863  0.863  0.702  1.0
  O  O19  1  0.645  0.355  0.295  1.0
  O  O20  1  0.137  0.137  0.702  1.0
  O  O21  1  0.355  0.645  0.295  1.0
  O  O22  1  0.500  0.500  0.811  1.0
  O  O23  1  0.000  0.000  0.189  1.0
[/CIF]
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The compound described by CaNdAl3O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. In the second Al site, Al(2) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. In the third Al site, Al(3) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing AlO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Ca(1) and two equivalent Al(2) atoms to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(4)Ca2NdAl tetrahedra, corners with two equivalent O(3)CaNd2Al tetrahedra, and edges with two equivalent O(4)Ca2NdAl tetrahedra. In the second O site, O(6) is bonded to two equivalent Nd(1) and two equivalent Al(1) atoms to form distorted ONd2Al2 tetrahedra that share corners with two equivalent O(4)Ca2NdAl tetrahedra, corners with two equivalent O(3)CaNd2Al tetrahedra, and edges with two equivalent O(3)CaNd2Al tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Al(1), and one Al(3) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Al(2), and one Al(3) atom. In the fifth O site, O(3) is bonded to one Ca(1), two equivalent Nd(1), and one Al(1) atom to form distorted OCaNd2Al tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(6)Nd2Al2 tetrahedra, corners with four equivalent O(4)Ca2NdAl tetrahedra,  an edgeedge with one O(3)CaNd2Al tetrahedra, and  an edgeedge with one O(6)Nd2Al2 tetrahedra. In the sixth O site, O(4) is bonded to two equivalent Ca(1), one Nd(1), and one Al(2) atom to form distorted OCa2NdAl tetrahedra that share  a cornercorner with one O(5)Ca2Al2 tetrahedra,  a cornercorner with one O(6)Nd2Al2 tetrahedra, corners with four equivalent O(3)CaNd2Al tetrahedra,  an edgeedge with one O(5)Ca2Al2 tetrahedra, and  an edgeedge with one O(4)Ca2NdAl tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaNdAl3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.820
_cell_length_b   7.820
_cell_length_c   5.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.823
_symmetry_Int_Tables_number   1
_cell_volume   315.746
_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
  Ca  Ca0  1  0.660  0.660  0.484  1.0
  Ca  Ca1  1  0.340  0.340  0.484  1.0
  Nd  Nd2  1  0.837  0.163  0.509  1.0
  Nd  Nd3  1  0.163  0.837  0.509  1.0
  Al  Al4  1  0.855  0.855  0.041  1.0
  Al  Al5  1  0.642  0.358  0.958  1.0
  Al  Al6  1  0.145  0.145  0.041  1.0
  Al  Al7  1  0.358  0.642  0.958  1.0
  Al  Al8  1  0.500  0.000  0.004  1.0
  Al  Al9  1  0.000  0.500  0.004  1.0
  O  O10  1  0.663  0.914  0.200  1.0
  O  O11  1  0.840  0.407  0.804  1.0
  O  O12  1  0.337  0.086  0.200  1.0
  O  O13  1  0.160  0.593  0.804  1.0
  O  O14  1  0.407  0.840  0.804  1.0
  O  O15  1  0.086  0.337  0.200  1.0
  O  O16  1  0.593  0.160  0.804  1.0
  O  O17  1  0.914  0.663  0.200  1.0
  O  O18  1  0.863  0.863  0.702  1.0
  O  O19  1  0.645  0.355  0.295  1.0
  O  O20  1  0.137  0.137  0.702  1.0
  O  O21  1  0.355  0.645  0.295  1.0
  O  O22  1  0.500  0.500  0.811  1.0
  O  O23  1  0.000  0.000  0.189  1.0
[/CIF]
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