The structure described by Sm4ZrO8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 55°. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(3)Sm2Zr2 tetrahedra, corners with four equivalent O(4)Sm2Zr2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with six equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm2Zr2 tetrahedra, and  an edgeedge with one O(2)Sm4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form OSm2Zr2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(4)Sm2Zr2 tetrahedra, corners with six equivalent O(3)Sm2Zr2 tetrahedra,  an edgeedge with one O(3)Sm2Zr2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, and edges with four equivalent O(4)Sm2Zr2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form OSm2Zr2 tetrahedra that share corners with four equivalent O(3)Sm2Zr2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with six equivalent O(4)Sm2Zr2 tetrahedra,  an edgeedge with one O(4)Sm2Zr2 tetrahedra, and edges with four equivalent O(3)Sm2Zr2 tetrahedra. is represented by the CIF card [CIF]
data_Sm4ZrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.202
_cell_length_b   14.202
_cell_length_c   14.202
_cell_angle_alpha   164.716
_cell_angle_beta   164.320
_cell_angle_gamma   21.965
_symmetry_Int_Tables_number   1
_cell_volume   204.049
_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
  Sm  Sm0  1  0.590  0.590  0.000  1.0
  Sm  Sm1  1  0.204  0.204  0.000  1.0
  Sm  Sm2  1  0.410  0.410  0.000  1.0
  Sm  Sm3  1  0.796  0.796  0.000  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.148  0.648  0.500  1.0
  O  O6  1  0.741  0.241  0.500  1.0
  O  O7  1  0.955  0.455  0.500  1.0
  O  O8  1  0.454  0.954  0.500  1.0
  O  O9  1  0.546  0.046  0.500  1.0
  O  O10  1  0.045  0.545  0.500  1.0
  O  O11  1  0.259  0.759  0.500  1.0
  O  O12  1  0.852  0.352  0.500  1.0
[/CIF]
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The structure described by Sm4ZrO8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 55°. Zr(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(3)Sm2Zr2 tetrahedra, corners with four equivalent O(4)Sm2Zr2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with six equivalent O(2)Sm4 tetrahedra,  an edgeedge with one O(3)Sm2Zr2 tetrahedra, and  an edgeedge with one O(2)Sm4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form OSm2Zr2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(4)Sm2Zr2 tetrahedra, corners with six equivalent O(3)Sm2Zr2 tetrahedra,  an edgeedge with one O(3)Sm2Zr2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, and edges with four equivalent O(4)Sm2Zr2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form OSm2Zr2 tetrahedra that share corners with four equivalent O(3)Sm2Zr2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with six equivalent O(4)Sm2Zr2 tetrahedra,  an edgeedge with one O(4)Sm2Zr2 tetrahedra, and edges with four equivalent O(3)Sm2Zr2 tetrahedra. is represented by the CIF card [CIF]
data_Sm4ZrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.202
_cell_length_b   14.202
_cell_length_c   14.202
_cell_angle_alpha   164.716
_cell_angle_beta   164.320
_cell_angle_gamma   21.965
_symmetry_Int_Tables_number   1
_cell_volume   204.049
_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
  Sm  Sm0  1  0.590  0.590  0.000  1.0
  Sm  Sm1  1  0.204  0.204  0.000  1.0
  Sm  Sm2  1  0.410  0.410  0.000  1.0
  Sm  Sm3  1  0.796  0.796  0.000  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.148  0.648  0.500  1.0
  O  O6  1  0.741  0.241  0.500  1.0
  O  O7  1  0.955  0.455  0.500  1.0
  O  O8  1  0.454  0.954  0.500  1.0
  O  O9  1  0.546  0.046  0.500  1.0
  O  O10  1  0.045  0.545  0.500  1.0
  O  O11  1  0.259  0.759  0.500  1.0
  O  O12  1  0.852  0.352  0.500  1.0
[/CIF]
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