The material structure described by Sm2Zr2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(9), two equivalent O(13), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(2), one O(6), one O(7), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(5), one O(7), one O(8), and two equivalent O(12) atoms. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the second Zr site, Zr(2) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the third Zr site, Zr(3) is bonded to one O(11), one O(12), one O(14), one O(3), one O(8), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(14), one O(4), one O(9), and two equivalent O(13) atoms to form distorted corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 30-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(4), two equivalent Sm(1), and one Zr(1) atom to form distorted OSm3Zr tetrahedra that share  a cornercorner with one O(2)Sm2Zr2 tetrahedra, corners with two equivalent O(1)Sm3Zr tetrahedra, corners with two equivalent O(12)Sm3Zr trigonal pyramids, edges with three equivalent O(5)Sm3Zr tetrahedra,  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid, and  an edgeedge with one O(12)Sm3Zr trigonal pyramid. In the second O site, O(2) is bonded to one Sm(2), one Sm(3), one Zr(1), and one Zr(2) atom to form distorted OSm2Zr2 tetrahedra that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra,  a cornercorner with one O(1)Sm3Zr tetrahedra,  a cornercorner with one O(5)Sm3Zr tetrahedra, corners with two equivalent O(9)Sm2Zr2 tetrahedra,  an edgeedge with one O(10)Sm2Zr2 tetrahedra, and  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one Zr(1), and one Zr(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sm(2), one Zr(2), and one Zr(4) atom. In the fifth O site, O(5) is bonded to one Sm(4), two equivalent Sm(1), and one Zr(1) atom to form distorted OSm3Zr tetrahedra that share  a cornercorner with one O(2)Sm2Zr2 tetrahedra, corners with two equivalent O(5)Sm3Zr tetrahedra, corners with two equivalent O(11)Sm2Zr2 trigonal pyramids, corners with four equivalent O(12)Sm3Zr trigonal pyramids, and edges with three equivalent O(1)Sm3Zr tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(3), two equivalent Sm(2), and two equivalent Zr(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Zr(1), and one Zr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(4), and one Zr(3) atom. In the ninth O site, O(9) is bonded to one Sm(2), one Sm(3), one Zr(3), and one Zr(4) atom to form distorted OSm2Zr2 tetrahedra that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra, corners with two equivalent O(2)Sm2Zr2 tetrahedra,  a cornercorner with one O(12)Sm3Zr trigonal pyramid,  an edgeedge with one O(10)Sm2Zr2 tetrahedra, and  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Sm(2), one Sm(3), one Zr(2), and one Zr(4) atom to form a mixture of distorted corner and edge-sharing OSm2Zr2 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(3), one Sm(4), one Zr(1), and one Zr(3) atom to form distorted OSm2Zr2 trigonal pyramids that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra, corners with two equivalent O(5)Sm3Zr tetrahedra, corners with three equivalent O(12)Sm3Zr trigonal pyramids,  an edgeedge with one O(2)Sm2Zr2 tetrahedra,  an edgeedge with one O(9)Sm2Zr2 tetrahedra, and  an edgeedge with one O(1)Sm3Zr tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(1), two equivalent Sm(4), and one Zr(3) atom to form distorted OSm3Zr trigonal pyramids that share  a cornercorner with one O(9)Sm2Zr2 tetrahedra, corners with two equivalent O(1)Sm3Zr tetrahedra, corners with four equivalent O(5)Sm3Zr tetrahedra, corners with two equivalent O(12)Sm3Zr trigonal pyramids, corners with three equivalent O(11)Sm2Zr2 trigonal pyramids, and  an edgeedge with one O(1)Sm3Zr tetrahedra. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sm(3), two equivalent Sm(2), and two equivalent Zr(4) atoms. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Zr(3), and one Zr(4) atom. is represented by the CIF file [CIF]
data_Sm2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   7.984
_cell_length_c   13.924
_cell_angle_alpha   81.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.065
_cell_formula_units_Z   4
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  0.334  0.861  0.562  1.0
  Sm  Sm1  1  0.775  0.765  0.922  1.0
  Sm  Sm2  1  0.246  0.715  0.131  1.0
  Sm  Sm3  1  0.760  0.642  0.396  1.0
  Sm  Sm4  1  0.260  0.358  0.604  1.0
  Sm  Sm5  1  0.746  0.285  0.869  1.0
  Sm  Sm6  1  0.275  0.235  0.078  1.0
  Sm  Sm7  1  0.834  0.139  0.438  1.0
  Zr  Zr8  1  0.267  0.925  0.319  1.0
  Zr  Zr9  1  0.763  0.971  0.118  1.0
  Zr  Zr10  1  0.778  0.588  0.675  1.0
  Zr  Zr11  1  0.265  0.531  0.877  1.0
  Zr  Zr12  1  0.765  0.469  0.123  1.0
  Zr  Zr13  1  0.278  0.412  0.325  1.0
  Zr  Zr14  1  0.263  0.029  0.882  1.0
  Zr  Zr15  1  0.767  0.075  0.681  1.0
  O  O16  1  0.551  0.920  0.415  1.0
  O  O17  1  0.426  0.995  0.175  1.0
  O  O18  1  0.648  0.828  0.683  1.0
  O  O19  1  0.368  0.778  0.887  1.0
  O  O20  1  0.046  0.857  0.433  1.0
  O  O21  1  0.045  0.932  0.020  1.0
  O  O22  1  0.967  0.865  0.229  1.0
  O  O23  1  0.102  0.631  0.619  1.0
  O  O24  1  0.922  0.579  0.826  1.0
  O  O25  1  0.646  0.728  0.085  1.0
  O  O26  1  0.393  0.676  0.300  1.0
  O  O27  1  0.575  0.585  0.550  1.0
  O  O28  1  0.542  0.444  0.978  1.0
  O  O29  1  0.473  0.478  0.768  1.0
  O  O30  1  0.973  0.522  0.232  1.0
  O  O31  1  0.042  0.556  0.022  1.0
  O  O32  1  0.075  0.415  0.450  1.0
  O  O33  1  0.893  0.324  0.700  1.0
  O  O34  1  0.146  0.272  0.915  1.0
  O  O35  1  0.422  0.421  0.174  1.0
  O  O36  1  0.602  0.369  0.381  1.0
  O  O37  1  0.467  0.135  0.771  1.0
  O  O38  1  0.545  0.068  0.980  1.0
  O  O39  1  0.546  0.143  0.567  1.0
  O  O40  1  0.868  0.222  0.113  1.0
  O  O41  1  0.148  0.172  0.317  1.0
  O  O42  1  0.926  0.005  0.825  1.0
  O  O43  1  0.051  0.080  0.585  1.0
[/CIF]
.
The material structure described by Sm2Zr2O7 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one O(12), one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(9), two equivalent O(13), and two equivalent O(6) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(2), one O(6), one O(7), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(5), one O(7), one O(8), and two equivalent O(12) atoms. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the second Zr site, Zr(2) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the third Zr site, Zr(3) is bonded to one O(11), one O(12), one O(14), one O(3), one O(8), and one O(9) atom to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(14), one O(4), one O(9), and two equivalent O(13) atoms to form distorted corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 30-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(4), two equivalent Sm(1), and one Zr(1) atom to form distorted OSm3Zr tetrahedra that share  a cornercorner with one O(2)Sm2Zr2 tetrahedra, corners with two equivalent O(1)Sm3Zr tetrahedra, corners with two equivalent O(12)Sm3Zr trigonal pyramids, edges with three equivalent O(5)Sm3Zr tetrahedra,  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid, and  an edgeedge with one O(12)Sm3Zr trigonal pyramid. In the second O site, O(2) is bonded to one Sm(2), one Sm(3), one Zr(1), and one Zr(2) atom to form distorted OSm2Zr2 tetrahedra that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra,  a cornercorner with one O(1)Sm3Zr tetrahedra,  a cornercorner with one O(5)Sm3Zr tetrahedra, corners with two equivalent O(9)Sm2Zr2 tetrahedra,  an edgeedge with one O(10)Sm2Zr2 tetrahedra, and  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1), one Zr(1), and one Zr(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Sm(2), one Zr(2), and one Zr(4) atom. In the fifth O site, O(5) is bonded to one Sm(4), two equivalent Sm(1), and one Zr(1) atom to form distorted OSm3Zr tetrahedra that share  a cornercorner with one O(2)Sm2Zr2 tetrahedra, corners with two equivalent O(5)Sm3Zr tetrahedra, corners with two equivalent O(11)Sm2Zr2 trigonal pyramids, corners with four equivalent O(12)Sm3Zr trigonal pyramids, and edges with three equivalent O(1)Sm3Zr tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(3), two equivalent Sm(2), and two equivalent Zr(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Zr(1), and one Zr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Sm(1), one Sm(4), and one Zr(3) atom. In the ninth O site, O(9) is bonded to one Sm(2), one Sm(3), one Zr(3), and one Zr(4) atom to form distorted OSm2Zr2 tetrahedra that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra, corners with two equivalent O(2)Sm2Zr2 tetrahedra,  a cornercorner with one O(12)Sm3Zr trigonal pyramid,  an edgeedge with one O(10)Sm2Zr2 tetrahedra, and  an edgeedge with one O(11)Sm2Zr2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Sm(2), one Sm(3), one Zr(2), and one Zr(4) atom to form a mixture of distorted corner and edge-sharing OSm2Zr2 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(3), one Sm(4), one Zr(1), and one Zr(3) atom to form distorted OSm2Zr2 trigonal pyramids that share  a cornercorner with one O(10)Sm2Zr2 tetrahedra, corners with two equivalent O(5)Sm3Zr tetrahedra, corners with three equivalent O(12)Sm3Zr trigonal pyramids,  an edgeedge with one O(2)Sm2Zr2 tetrahedra,  an edgeedge with one O(9)Sm2Zr2 tetrahedra, and  an edgeedge with one O(1)Sm3Zr tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(1), two equivalent Sm(4), and one Zr(3) atom to form distorted OSm3Zr trigonal pyramids that share  a cornercorner with one O(9)Sm2Zr2 tetrahedra, corners with two equivalent O(1)Sm3Zr tetrahedra, corners with four equivalent O(5)Sm3Zr tetrahedra, corners with two equivalent O(12)Sm3Zr trigonal pyramids, corners with three equivalent O(11)Sm2Zr2 trigonal pyramids, and  an edgeedge with one O(1)Sm3Zr tetrahedra. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sm(3), two equivalent Sm(2), and two equivalent Zr(4) atoms. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sm(3), one Sm(4), one Zr(3), and one Zr(4) atom. is represented by the CIF file [CIF]
data_Sm2Zr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.639
_cell_length_b   7.984
_cell_length_c   13.924
_cell_angle_alpha   81.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.065
_cell_formula_units_Z   4
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  0.334  0.861  0.562  1.0
  Sm  Sm1  1  0.775  0.765  0.922  1.0
  Sm  Sm2  1  0.246  0.715  0.131  1.0
  Sm  Sm3  1  0.760  0.642  0.396  1.0
  Sm  Sm4  1  0.260  0.358  0.604  1.0
  Sm  Sm5  1  0.746  0.285  0.869  1.0
  Sm  Sm6  1  0.275  0.235  0.078  1.0
  Sm  Sm7  1  0.834  0.139  0.438  1.0
  Zr  Zr8  1  0.267  0.925  0.319  1.0
  Zr  Zr9  1  0.763  0.971  0.118  1.0
  Zr  Zr10  1  0.778  0.588  0.675  1.0
  Zr  Zr11  1  0.265  0.531  0.877  1.0
  Zr  Zr12  1  0.765  0.469  0.123  1.0
  Zr  Zr13  1  0.278  0.412  0.325  1.0
  Zr  Zr14  1  0.263  0.029  0.882  1.0
  Zr  Zr15  1  0.767  0.075  0.681  1.0
  O  O16  1  0.551  0.920  0.415  1.0
  O  O17  1  0.426  0.995  0.175  1.0
  O  O18  1  0.648  0.828  0.683  1.0
  O  O19  1  0.368  0.778  0.887  1.0
  O  O20  1  0.046  0.857  0.433  1.0
  O  O21  1  0.045  0.932  0.020  1.0
  O  O22  1  0.967  0.865  0.229  1.0
  O  O23  1  0.102  0.631  0.619  1.0
  O  O24  1  0.922  0.579  0.826  1.0
  O  O25  1  0.646  0.728  0.085  1.0
  O  O26  1  0.393  0.676  0.300  1.0
  O  O27  1  0.575  0.585  0.550  1.0
  O  O28  1  0.542  0.444  0.978  1.0
  O  O29  1  0.473  0.478  0.768  1.0
  O  O30  1  0.973  0.522  0.232  1.0
  O  O31  1  0.042  0.556  0.022  1.0
  O  O32  1  0.075  0.415  0.450  1.0
  O  O33  1  0.893  0.324  0.700  1.0
  O  O34  1  0.146  0.272  0.915  1.0
  O  O35  1  0.422  0.421  0.174  1.0
  O  O36  1  0.602  0.369  0.381  1.0
  O  O37  1  0.467  0.135  0.771  1.0
  O  O38  1  0.545  0.068  0.980  1.0
  O  O39  1  0.546  0.143  0.567  1.0
  O  O40  1  0.868  0.222  0.113  1.0
  O  O41  1  0.148  0.172  0.317  1.0
  O  O42  1  0.926  0.005  0.825  1.0
  O  O43  1  0.051  0.080  0.585  1.0
[/CIF]
.