The structure described by GdNd3Zr4O14 crystallizes in the trigonal R-3m space group. Gd(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Nd(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with six equivalent O(3)Nd2Zr2 tetrahedra, corners with six equivalent O(2)NdGdZr2 tetrahedra, edges with three equivalent O(3)Nd2Zr2 tetrahedra, and edges with three equivalent O(2)NdGdZr2 tetrahedra. In the second O site, O(2) is bonded to one Gd(1), one Nd(1), and two equivalent Zr(2) atoms to form ONdGdZr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Nd2Zr2 tetrahedra, corners with eight equivalent O(2)NdGdZr2 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, edges with two equivalent O(3)Nd2Zr2 tetrahedra, and edges with two equivalent O(2)NdGdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Nd(1), one Zr(1), and one Zr(2) atom to form ONd2Zr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(2)NdGdZr2 tetrahedra, corners with eight equivalent O(3)Nd2Zr2 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, edges with two equivalent O(3)Nd2Zr2 tetrahedra, and edges with two equivalent O(2)NdGdZr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3GdZr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   7.531
_cell_angle_alpha   59.753
_cell_angle_beta   59.753
_cell_angle_gamma   59.753
_symmetry_Int_Tables_number   1
_cell_volume   300.289
_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  0.500  0.500  1.0
  Nd  Nd1  1  0.500  0.500  0.000  1.0
  Nd  Nd2  1  0.500  0.000  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.500  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.126  0.126  0.126  1.0
  O  O9  1  0.874  0.874  0.874  1.0
  O  O10  1  0.875  0.372  0.372  1.0
  O  O11  1  0.369  0.882  0.882  1.0
  O  O12  1  0.372  0.372  0.875  1.0
  O  O13  1  0.882  0.882  0.369  1.0
  O  O14  1  0.882  0.369  0.882  1.0
  O  O15  1  0.372  0.875  0.372  1.0
  O  O16  1  0.125  0.628  0.628  1.0
  O  O17  1  0.631  0.118  0.118  1.0
  O  O18  1  0.628  0.628  0.125  1.0
  O  O19  1  0.118  0.118  0.631  1.0
  O  O20  1  0.118  0.631  0.118  1.0
  O  O21  1  0.628  0.125  0.628  1.0
[/CIF]
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The structure described by GdNd3Zr4O14 crystallizes in the trigonal R-3m space group. Gd(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Nd(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1) and three equivalent Zr(2) atoms to form OZr4 tetrahedra that share corners with four equivalent O(1)Zr4 tetrahedra, corners with six equivalent O(3)Nd2Zr2 tetrahedra, corners with six equivalent O(2)NdGdZr2 tetrahedra, edges with three equivalent O(3)Nd2Zr2 tetrahedra, and edges with three equivalent O(2)NdGdZr2 tetrahedra. In the second O site, O(2) is bonded to one Gd(1), one Nd(1), and two equivalent Zr(2) atoms to form ONdGdZr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(3)Nd2Zr2 tetrahedra, corners with eight equivalent O(2)NdGdZr2 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, edges with two equivalent O(3)Nd2Zr2 tetrahedra, and edges with two equivalent O(2)NdGdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Nd(1), one Zr(1), and one Zr(2) atom to form ONd2Zr2 tetrahedra that share corners with two equivalent O(1)Zr4 tetrahedra, corners with four equivalent O(2)NdGdZr2 tetrahedra, corners with eight equivalent O(3)Nd2Zr2 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, edges with two equivalent O(3)Nd2Zr2 tetrahedra, and edges with two equivalent O(2)NdGdZr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3GdZr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   7.531
_cell_angle_alpha   59.753
_cell_angle_beta   59.753
_cell_angle_gamma   59.753
_symmetry_Int_Tables_number   1
_cell_volume   300.289
_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  0.500  0.500  1.0
  Nd  Nd1  1  0.500  0.500  0.000  1.0
  Nd  Nd2  1  0.500  0.000  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.500  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.126  0.126  0.126  1.0
  O  O9  1  0.874  0.874  0.874  1.0
  O  O10  1  0.875  0.372  0.372  1.0
  O  O11  1  0.369  0.882  0.882  1.0
  O  O12  1  0.372  0.372  0.875  1.0
  O  O13  1  0.882  0.882  0.369  1.0
  O  O14  1  0.882  0.369  0.882  1.0
  O  O15  1  0.372  0.875  0.372  1.0
  O  O16  1  0.125  0.628  0.628  1.0
  O  O17  1  0.631  0.118  0.118  1.0
  O  O18  1  0.628  0.628  0.125  1.0
  O  O19  1  0.118  0.118  0.631  1.0
  O  O20  1  0.118  0.631  0.118  1.0
  O  O21  1  0.628  0.125  0.628  1.0
[/CIF]
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