The structure described by CaEuZr2O6 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Eu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Eu(1), and two equivalent Zr(1) atoms to form distorted OCa2Eu2Zr2 octahedra that share corners with six equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(3)Ca2Zr2 tetrahedra, corners with four equivalent O(2)Eu2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, edges with four equivalent O(3)Ca2Zr2 tetrahedra, and edges with four equivalent O(2)Eu2Zr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Eu(1) and two equivalent Zr(1) atoms to form distorted OEu2Zr2 tetrahedra that share corners with four equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(3)Ca2Zr2 tetrahedra, corners with six equivalent O(2)Eu2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, and  an edgeedge with one O(2)Eu2Zr2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Zr(1) atoms to form distorted OCa2Zr2 tetrahedra that share corners with four equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(2)Eu2Zr2 tetrahedra, corners with six equivalent O(3)Ca2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, and  an edgeedge with one O(3)Ca2Zr2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_CaEuZr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   90.251
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.959
_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
  Ca  Ca0  1  0.500  0.000  0.000  1.0
  Eu  Eu1  1  0.500  0.500  0.500  1.0
  Zr  Zr2  1  0.000  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.320  0.680  1.0
  O  O7  1  0.000  0.680  0.320  1.0
  O  O8  1  0.000  0.823  0.823  1.0
  O  O9  1  0.000  0.177  0.177  1.0
[/CIF]
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The structure described by CaEuZr2O6 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Eu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Eu(1), and two equivalent Zr(1) atoms to form distorted OCa2Eu2Zr2 octahedra that share corners with six equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(3)Ca2Zr2 tetrahedra, corners with four equivalent O(2)Eu2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, edges with four equivalent O(3)Ca2Zr2 tetrahedra, and edges with four equivalent O(2)Eu2Zr2 tetrahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Eu(1) and two equivalent Zr(1) atoms to form distorted OEu2Zr2 tetrahedra that share corners with four equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(3)Ca2Zr2 tetrahedra, corners with six equivalent O(2)Eu2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, and  an edgeedge with one O(2)Eu2Zr2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Zr(1) atoms to form distorted OCa2Zr2 tetrahedra that share corners with four equivalent O(1)Ca2Eu2Zr2 octahedra, corners with four equivalent O(2)Eu2Zr2 tetrahedra, corners with six equivalent O(3)Ca2Zr2 tetrahedra, edges with four equivalent O(1)Ca2Eu2Zr2 octahedra, and  an edgeedge with one O(3)Ca2Zr2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_CaEuZr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.210
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   90.251
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   139.959
_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
  Ca  Ca0  1  0.500  0.000  0.000  1.0
  Eu  Eu1  1  0.500  0.500  0.500  1.0
  Zr  Zr2  1  0.000  0.000  0.500  1.0
  Zr  Zr3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.320  0.680  1.0
  O  O7  1  0.000  0.680  0.320  1.0
  O  O8  1  0.000  0.823  0.823  1.0
  O  O9  1  0.000  0.177  0.177  1.0
[/CIF]
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