The compound described by SrLaCuS3 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. La(1) is bonded to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted LaS7 pentagonal bipyramids that share corners with two equivalent La(1)S7 pentagonal bipyramids,  a cornercorner with one Cu(1)S4 tetrahedra, edges with four equivalent La(1)S7 pentagonal bipyramids, and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one La(1)S7 pentagonal bipyramid, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent La(1)S7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted SSr2La2Cu2 pentagonal pyramids that share corners with two equivalent S(2)Sr3La2Cu octahedra, corners with five equivalent S(3)Sr2La3Cu octahedra, corners with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids, edges with two equivalent S(3)Sr2La3Cu octahedra, edges with five equivalent S(2)Sr3La2Cu octahedra, edges with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids, and  a faceface with one S(3)Sr2La3Cu octahedra. The corner-sharing octahedral tilt angles range from 21-60°. In the second S site, S(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Cu(1) atom to form distorted SSr3La2Cu octahedra that share corners with eight equivalent S(3)Sr2La3Cu octahedra, corners with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  an edgeedge with one S(3)Sr2La3Cu octahedra, edges with four equivalent S(2)Sr3La2Cu octahedra, edges with five equivalent S(1)Sr2La2Cu2 pentagonal pyramids, and  a faceface with one S(3)Sr2La3Cu octahedra. The corner-sharing octahedral tilt angles range from 22-55°. In the third S site, S(3) is bonded to two equivalent Sr(1), three equivalent La(1), and one Cu(1) atom to form distorted SSr2La3Cu octahedra that share corners with eight equivalent S(2)Sr3La2Cu octahedra, corners with five equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  an edgeedge with one S(2)Sr3La2Cu octahedra, edges with four equivalent S(3)Sr2La3Cu octahedra, edges with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  a faceface with one S(2)Sr3La2Cu octahedra, and  a faceface with one S(1)Sr2La2Cu2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   11.231
_cell_length_c   11.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.418
_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
  Sr  Sr0  1  0.250  0.319  0.008  1.0
  Sr  Sr1  1  0.250  0.819  0.492  1.0
  Sr  Sr2  1  0.750  0.681  0.992  1.0
  Sr  Sr3  1  0.750  0.181  0.508  1.0
  La  La4  1  0.250  0.490  0.683  1.0
  La  La5  1  0.250  0.990  0.817  1.0
  La  La6  1  0.750  0.510  0.317  1.0
  La  La7  1  0.750  0.010  0.183  1.0
  Cu  Cu8  1  0.250  0.245  0.288  1.0
  Cu  Cu9  1  0.250  0.745  0.212  1.0
  Cu  Cu10  1  0.750  0.755  0.712  1.0
  Cu  Cu11  1  0.750  0.255  0.788  1.0
  S  S12  1  0.250  0.224  0.696  1.0
  S  S13  1  0.250  0.724  0.804  1.0
  S  S14  1  0.750  0.776  0.304  1.0
  S  S15  1  0.750  0.276  0.196  1.0
  S  S16  1  0.250  0.051  0.359  1.0
  S  S17  1  0.250  0.551  0.141  1.0
  S  S18  1  0.750  0.949  0.641  1.0
  S  S19  1  0.750  0.449  0.859  1.0
  S  S20  1  0.250  0.384  0.441  1.0
  S  S21  1  0.250  0.884  0.059  1.0
  S  S22  1  0.750  0.616  0.559  1.0
  S  S23  1  0.750  0.116  0.941  1.0
[/CIF]
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The compound described by SrLaCuS3 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. La(1) is bonded to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms to form distorted LaS7 pentagonal bipyramids that share corners with two equivalent La(1)S7 pentagonal bipyramids,  a cornercorner with one Cu(1)S4 tetrahedra, edges with four equivalent La(1)S7 pentagonal bipyramids, and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one La(1)S7 pentagonal bipyramid, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent La(1)S7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted SSr2La2Cu2 pentagonal pyramids that share corners with two equivalent S(2)Sr3La2Cu octahedra, corners with five equivalent S(3)Sr2La3Cu octahedra, corners with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids, edges with two equivalent S(3)Sr2La3Cu octahedra, edges with five equivalent S(2)Sr3La2Cu octahedra, edges with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids, and  a faceface with one S(3)Sr2La3Cu octahedra. The corner-sharing octahedral tilt angles range from 21-60°. In the second S site, S(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Cu(1) atom to form distorted SSr3La2Cu octahedra that share corners with eight equivalent S(3)Sr2La3Cu octahedra, corners with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  an edgeedge with one S(3)Sr2La3Cu octahedra, edges with four equivalent S(2)Sr3La2Cu octahedra, edges with five equivalent S(1)Sr2La2Cu2 pentagonal pyramids, and  a faceface with one S(3)Sr2La3Cu octahedra. The corner-sharing octahedral tilt angles range from 22-55°. In the third S site, S(3) is bonded to two equivalent Sr(1), three equivalent La(1), and one Cu(1) atom to form distorted SSr2La3Cu octahedra that share corners with eight equivalent S(2)Sr3La2Cu octahedra, corners with five equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  an edgeedge with one S(2)Sr3La2Cu octahedra, edges with four equivalent S(3)Sr2La3Cu octahedra, edges with two equivalent S(1)Sr2La2Cu2 pentagonal pyramids,  a faceface with one S(2)Sr3La2Cu octahedra, and  a faceface with one S(1)Sr2La2Cu2 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   11.231
_cell_length_c   11.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.418
_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
  Sr  Sr0  1  0.250  0.319  0.008  1.0
  Sr  Sr1  1  0.250  0.819  0.492  1.0
  Sr  Sr2  1  0.750  0.681  0.992  1.0
  Sr  Sr3  1  0.750  0.181  0.508  1.0
  La  La4  1  0.250  0.490  0.683  1.0
  La  La5  1  0.250  0.990  0.817  1.0
  La  La6  1  0.750  0.510  0.317  1.0
  La  La7  1  0.750  0.010  0.183  1.0
  Cu  Cu8  1  0.250  0.245  0.288  1.0
  Cu  Cu9  1  0.250  0.745  0.212  1.0
  Cu  Cu10  1  0.750  0.755  0.712  1.0
  Cu  Cu11  1  0.750  0.255  0.788  1.0
  S  S12  1  0.250  0.224  0.696  1.0
  S  S13  1  0.250  0.724  0.804  1.0
  S  S14  1  0.750  0.776  0.304  1.0
  S  S15  1  0.750  0.276  0.196  1.0
  S  S16  1  0.250  0.051  0.359  1.0
  S  S17  1  0.250  0.551  0.141  1.0
  S  S18  1  0.750  0.949  0.641  1.0
  S  S19  1  0.750  0.449  0.859  1.0
  S  S20  1  0.250  0.384  0.441  1.0
  S  S21  1  0.250  0.884  0.059  1.0
  S  S22  1  0.750  0.616  0.559  1.0
  S  S23  1  0.750  0.116  0.941  1.0
[/CIF]
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