The material structure described by EuPrCuS3 crystallizes in the orthorhombic Pnma space group. Eu(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. Pr(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Eu(1), one Pr(1), and one Cu(1) atom to form distorted SPrEu4Cu octahedra that share corners with four equivalent S(1)PrEu4Cu octahedra, corners with six equivalent S(2)Pr3Eu2Cu octahedra, edges with four equivalent S(1)PrEu4Cu octahedra, and faces with two equivalent S(2)Pr3Eu2Cu octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the second S site, S(2) is bonded to two equivalent Eu(1), three equivalent Pr(1), and one Cu(1) atom to form distorted SPr3Eu2Cu octahedra that share corners with six equivalent S(1)PrEu4Cu octahedra, edges with four equivalent S(2)Pr3Eu2Cu octahedra, and faces with two equivalent S(1)PrEu4Cu octahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Eu(1), three equivalent Pr(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_PrEuCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   8.093
_cell_length_c   15.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.257
_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
  Pr  Pr0  1  0.250  0.251  0.959  1.0
  Pr  Pr1  1  0.250  0.751  0.541  1.0
  Pr  Pr2  1  0.750  0.749  0.041  1.0
  Pr  Pr3  1  0.750  0.249  0.459  1.0
  Eu  Eu4  1  0.250  0.088  0.216  1.0
  Eu  Eu5  1  0.250  0.588  0.284  1.0
  Eu  Eu6  1  0.750  0.912  0.784  1.0
  Eu  Eu7  1  0.750  0.412  0.716  1.0
  Cu  Cu8  1  0.250  0.117  0.633  1.0
  Cu  Cu9  1  0.250  0.617  0.867  1.0
  Cu  Cu10  1  0.750  0.883  0.367  1.0
  Cu  Cu11  1  0.750  0.383  0.133  1.0
  S  S12  1  0.250  0.180  0.780  1.0
  S  S13  1  0.250  0.680  0.720  1.0
  S  S14  1  0.750  0.820  0.220  1.0
  S  S15  1  0.750  0.320  0.280  1.0
  S  S16  1  0.250  0.379  0.568  1.0
  S  S17  1  0.250  0.879  0.932  1.0
  S  S18  1  0.750  0.621  0.432  1.0
  S  S19  1  0.750  0.121  0.068  1.0
  S  S20  1  0.250  0.010  0.402  1.0
  S  S21  1  0.250  0.510  0.098  1.0
  S  S22  1  0.750  0.990  0.598  1.0
  S  S23  1  0.750  0.490  0.902  1.0
[/CIF]
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The material structure described by EuPrCuS3 crystallizes in the orthorhombic Pnma space group. Eu(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(2), and four equivalent S(1) atoms. Pr(1) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent S(3) atoms. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Eu(1), one Pr(1), and one Cu(1) atom to form distorted SPrEu4Cu octahedra that share corners with four equivalent S(1)PrEu4Cu octahedra, corners with six equivalent S(2)Pr3Eu2Cu octahedra, edges with four equivalent S(1)PrEu4Cu octahedra, and faces with two equivalent S(2)Pr3Eu2Cu octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the second S site, S(2) is bonded to two equivalent Eu(1), three equivalent Pr(1), and one Cu(1) atom to form distorted SPr3Eu2Cu octahedra that share corners with six equivalent S(1)PrEu4Cu octahedra, edges with four equivalent S(2)Pr3Eu2Cu octahedra, and faces with two equivalent S(1)PrEu4Cu octahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Eu(1), three equivalent Pr(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_PrEuCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   8.093
_cell_length_c   15.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.257
_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
  Pr  Pr0  1  0.250  0.251  0.959  1.0
  Pr  Pr1  1  0.250  0.751  0.541  1.0
  Pr  Pr2  1  0.750  0.749  0.041  1.0
  Pr  Pr3  1  0.750  0.249  0.459  1.0
  Eu  Eu4  1  0.250  0.088  0.216  1.0
  Eu  Eu5  1  0.250  0.588  0.284  1.0
  Eu  Eu6  1  0.750  0.912  0.784  1.0
  Eu  Eu7  1  0.750  0.412  0.716  1.0
  Cu  Cu8  1  0.250  0.117  0.633  1.0
  Cu  Cu9  1  0.250  0.617  0.867  1.0
  Cu  Cu10  1  0.750  0.883  0.367  1.0
  Cu  Cu11  1  0.750  0.383  0.133  1.0
  S  S12  1  0.250  0.180  0.780  1.0
  S  S13  1  0.250  0.680  0.720  1.0
  S  S14  1  0.750  0.820  0.220  1.0
  S  S15  1  0.750  0.320  0.280  1.0
  S  S16  1  0.250  0.379  0.568  1.0
  S  S17  1  0.250  0.879  0.932  1.0
  S  S18  1  0.750  0.621  0.432  1.0
  S  S19  1  0.750  0.121  0.068  1.0
  S  S20  1  0.250  0.010  0.402  1.0
  S  S21  1  0.250  0.510  0.098  1.0
  S  S22  1  0.750  0.990  0.598  1.0
  S  S23  1  0.750  0.490  0.902  1.0
[/CIF]
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