The material described by Eu2(ZrSe2)5 crystallizes in the triclinic P-1 space group. Eu(1) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms to form distorted EuSe6 octahedra that share corners with three equivalent Zr(1)Se6 octahedra, corners with four equivalent Zr(2)Se6 octahedra, corners with five equivalent Zr(3)Se6 octahedra,  an edgeedge with one Eu(1)Se6 octahedra,  a faceface with one Zr(2)Se6 octahedra, and  a faceface with one Zr(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(5) atoms to form ZrSe6 octahedra that share corners with six equivalent Eu(1)Se6 octahedra, edges with two equivalent Zr(3)Se6 octahedra, and edges with four equivalent Zr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. In the second Zr site, Zr(2) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms to form ZrSe6 octahedra that share corners with four equivalent Eu(1)Se6 octahedra,  an edgeedge with one Zr(2)Se6 octahedra, edges with two equivalent Zr(1)Se6 octahedra, edges with three equivalent Zr(3)Se6 octahedra, and  a faceface with one Eu(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third Zr site, Zr(3) is bonded to one Se(2), one Se(5), two equivalent Se(3), and two equivalent Se(4) atoms to form ZrSe6 octahedra that share corners with five equivalent Eu(1)Se6 octahedra,  an edgeedge with one Zr(1)Se6 octahedra, edges with two equivalent Zr(3)Se6 octahedra, edges with three equivalent Zr(2)Se6 octahedra, and  a faceface with one Eu(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), and two equivalent Zr(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), one Zr(2), and one Zr(3) atom. In the third Se site, Se(3) is bonded to two equivalent Eu(1), one Zr(2), and two equivalent Zr(3) atoms to form distorted edge-sharing SeEu2Zr3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(2), and two equivalent Zr(3) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), one Zr(2), and one Zr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Eu2(ZrSe2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   10.643
_cell_length_c   8.348
_cell_angle_alpha   62.441
_cell_angle_beta   66.960
_cell_angle_gamma   90.034
_symmetry_Int_Tables_number   1
_cell_volume   460.792
_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
  Eu  Eu0  1  0.793  0.088  0.412  1.0
  Eu  Eu1  1  0.007  0.512  0.988  1.0
  Zr  Zr2  1  0.400  0.800  0.200  1.0
  Zr  Zr3  1  0.802  0.602  0.400  1.0
  Zr  Zr4  1  0.192  0.401  0.599  1.0
  Zr  Zr5  1  0.608  0.199  0.801  1.0
  Zr  Zr6  1  0.998  0.998  0.000  1.0
  Se  Se7  1  0.979  0.841  0.381  1.0
  Se  Se8  1  0.573  0.044  0.178  1.0
  Se  Se9  1  0.177  0.245  0.978  1.0
  Se  Se10  1  0.770  0.444  0.781  1.0
  Se  Se11  1  0.382  0.648  0.573  1.0
  Se  Se12  1  0.418  0.952  0.827  1.0
  Se  Se13  1  0.030  0.156  0.619  1.0
  Se  Se14  1  0.623  0.355  0.422  1.0
  Se  Se15  1  0.227  0.556  0.222  1.0
  Se  Se16  1  0.821  0.759  0.019  1.0
[/CIF]
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The material described by Eu2(ZrSe2)5 crystallizes in the triclinic P-1 space group. Eu(1) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms to form distorted EuSe6 octahedra that share corners with three equivalent Zr(1)Se6 octahedra, corners with four equivalent Zr(2)Se6 octahedra, corners with five equivalent Zr(3)Se6 octahedra,  an edgeedge with one Eu(1)Se6 octahedra,  a faceface with one Zr(2)Se6 octahedra, and  a faceface with one Zr(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(5) atoms to form ZrSe6 octahedra that share corners with six equivalent Eu(1)Se6 octahedra, edges with two equivalent Zr(3)Se6 octahedra, and edges with four equivalent Zr(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-48°. In the second Zr site, Zr(2) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and two equivalent Se(1) atoms to form ZrSe6 octahedra that share corners with four equivalent Eu(1)Se6 octahedra,  an edgeedge with one Zr(2)Se6 octahedra, edges with two equivalent Zr(1)Se6 octahedra, edges with three equivalent Zr(3)Se6 octahedra, and  a faceface with one Eu(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third Zr site, Zr(3) is bonded to one Se(2), one Se(5), two equivalent Se(3), and two equivalent Se(4) atoms to form ZrSe6 octahedra that share corners with five equivalent Eu(1)Se6 octahedra,  an edgeedge with one Zr(1)Se6 octahedra, edges with two equivalent Zr(3)Se6 octahedra, edges with three equivalent Zr(2)Se6 octahedra, and  a faceface with one Eu(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), and two equivalent Zr(2) atoms. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), one Zr(2), and one Zr(3) atom. In the third Se site, Se(3) is bonded to two equivalent Eu(1), one Zr(2), and two equivalent Zr(3) atoms to form distorted edge-sharing SeEu2Zr3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(2), and two equivalent Zr(3) atoms. In the fifth Se site, Se(5) is bonded in a rectangular see-saw-like geometry to one Eu(1), one Zr(1), one Zr(2), and one Zr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Eu2(ZrSe2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   10.643
_cell_length_c   8.348
_cell_angle_alpha   62.441
_cell_angle_beta   66.960
_cell_angle_gamma   90.034
_symmetry_Int_Tables_number   1
_cell_volume   460.792
_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
  Eu  Eu0  1  0.793  0.088  0.412  1.0
  Eu  Eu1  1  0.007  0.512  0.988  1.0
  Zr  Zr2  1  0.400  0.800  0.200  1.0
  Zr  Zr3  1  0.802  0.602  0.400  1.0
  Zr  Zr4  1  0.192  0.401  0.599  1.0
  Zr  Zr5  1  0.608  0.199  0.801  1.0
  Zr  Zr6  1  0.998  0.998  0.000  1.0
  Se  Se7  1  0.979  0.841  0.381  1.0
  Se  Se8  1  0.573  0.044  0.178  1.0
  Se  Se9  1  0.177  0.245  0.978  1.0
  Se  Se10  1  0.770  0.444  0.781  1.0
  Se  Se11  1  0.382  0.648  0.573  1.0
  Se  Se12  1  0.418  0.952  0.827  1.0
  Se  Se13  1  0.030  0.156  0.619  1.0
  Se  Se14  1  0.623  0.355  0.422  1.0
  Se  Se15  1  0.227  0.556  0.222  1.0
  Se  Se16  1  0.821  0.759  0.019  1.0
[/CIF]
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