The crystal structure described by Ca4Sn3S10 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(2), one S(5), one S(6), and two equivalent S(9) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(5), one S(6), one S(7), one S(9), and two equivalent S(10) atoms. In the third Ca site, Ca(3) is bonded to one S(4), one S(5), one S(7), one S(8), and two equivalent S(3) atoms to form distorted CaS6 octahedra that share  a cornercorner with one Sn(2)S6 octahedra,  a cornercorner with one Sn(3)S6 octahedra, corners with two equivalent Ca(3)S6 octahedra, corners with four equivalent Ca(4)S6 octahedra,  an edgeedge with one Ca(4)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and  a faceface with one Sn(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-65°. In the fourth Ca site, Ca(4) is bonded to one S(3), one S(6), one S(7), one S(8), and two equivalent S(4) atoms to form distorted CaS6 octahedra that share  a cornercorner with one Sn(2)S6 octahedra,  a cornercorner with one Sn(3)S6 octahedra, corners with two equivalent Ca(4)S6 octahedra, corners with four equivalent Ca(3)S6 octahedra,  an edgeedge with one Ca(3)S6 octahedra, edges with two equivalent Sn(3)S6 octahedra, and  a faceface with one Sn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(1), one S(2), two equivalent S(10), and two equivalent S(9) atoms to form corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the second Sn site, Sn(2) is bonded to one S(1), one S(3), one S(5), one S(6), one S(7), and one S(8) atom to form SnS6 octahedra that share  a cornercorner with one Ca(3)S6 octahedra,  a cornercorner with one Ca(4)S6 octahedra,  a cornercorner with one Sn(1)S6 octahedra, corners with four equivalent Sn(3)S6 octahedra, edges with two equivalent Ca(3)S6 octahedra, and  a faceface with one Ca(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the third Sn site, Sn(3) is bonded to one S(2), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form SnS6 octahedra that share  a cornercorner with one Ca(3)S6 octahedra,  a cornercorner with one Ca(4)S6 octahedra,  a cornercorner with one Sn(1)S6 octahedra, corners with four equivalent Sn(2)S6 octahedra, edges with two equivalent Ca(4)S6 octahedra, and  a faceface with one Ca(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-62°. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), and two equivalent Sn(1) atoms. In the second S site, S(1) is bonded to one Ca(1), one Ca(2), one Sn(1), and one Sn(2) atom to form SCa2Sn2 trigonal pyramids that share  a cornercorner with one S(5)Ca3Sn2 square pyramid, corners with three equivalent S(6)Ca3Sn2 trigonal bipyramids, corners with three equivalent S(2)Ca2Sn2 trigonal pyramids, and  an edgeedge with one S(5)Ca3Sn2 square pyramid. In the third S site, S(2) is bonded to one Ca(1), one Ca(2), one Sn(1), and one Sn(3) atom to form SCa2Sn2 trigonal pyramids that share corners with three equivalent S(5)Ca3Sn2 square pyramids,  a cornercorner with one S(6)Ca3Sn2 trigonal bipyramid, corners with three equivalent S(1)Ca2Sn2 trigonal pyramids, and  an edgeedge with one S(6)Ca3Sn2 trigonal bipyramid. In the fourth S site, S(3) is bonded in a distorted see-saw-like geometry to one Ca(4), two equivalent Ca(3), and one Sn(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one Ca(3), two equivalent Ca(4), and one Sn(3) atom. In the sixth S site, S(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Sn(2), and one Sn(3) atom to form distorted SCa3Sn2 square pyramids that share  a cornercorner with one S(1)Ca2Sn2 trigonal pyramid, corners with three equivalent S(2)Ca2Sn2 trigonal pyramids, edges with two equivalent S(6)Ca3Sn2 trigonal bipyramids, and  an edgeedge with one S(1)Ca2Sn2 trigonal pyramid. In the seventh S site, S(6) is bonded to one Ca(1), one Ca(2), one Ca(4), one Sn(2), and one Sn(3) atom to form distorted SCa3Sn2 trigonal bipyramids that share  a cornercorner with one S(2)Ca2Sn2 trigonal pyramid, corners with three equivalent S(1)Ca2Sn2 trigonal pyramids, edges with two equivalent S(5)Ca3Sn2 square pyramids, and  an edgeedge with one S(2)Ca2Sn2 trigonal pyramid. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Sn(2), and one Sn(3) atom. In the ninth S site, S(8) is bonded in a distorted see-saw-like geometry to one Ca(3), one Ca(4), one Sn(2), and one Sn(3) atom. In the tenth S site, S(9) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Ca4Sn3S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   7.165
_cell_length_c   16.969
_cell_angle_alpha   79.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   810.781
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.535  0.773  0.139  1.0
  Ca  Ca1  1  0.035  0.227  0.861  1.0
  Ca  Ca2  1  0.475  0.729  0.857  1.0
  Ca  Ca3  1  0.975  0.271  0.143  1.0
  Ca  Ca4  1  0.986  0.969  0.408  1.0
  Ca  Ca5  1  0.486  0.031  0.592  1.0
  Ca  Ca6  1  0.010  0.528  0.595  1.0
  Ca  Ca7  1  0.510  0.472  0.405  1.0
  Sn  Sn8  1  0.004  0.750  1.000  1.0
  Sn  Sn9  1  0.504  0.250  0.000  1.0
  Sn  Sn10  1  0.503  0.109  0.288  1.0
  Sn  Sn11  1  0.003  0.891  0.712  1.0
  Sn  Sn12  1  0.500  0.389  0.711  1.0
  Sn  Sn13  1  1.000  0.611  0.289  1.0
  S  S14  1  0.368  0.129  0.144  1.0
  S  S15  1  0.868  0.871  0.856  1.0
  S  S16  1  0.636  0.367  0.856  1.0
  S  S17  1  0.136  0.633  0.144  1.0
  S  S18  1  0.609  0.087  0.431  1.0
  S  S19  1  0.109  0.913  0.569  1.0
  S  S20  1  0.389  0.420  0.568  1.0
  S  S21  1  0.889  0.580  0.432  1.0
  S  S22  1  0.815  0.941  0.247  1.0
  S  S23  1  0.315  0.059  0.753  1.0
  S  S24  1  0.187  0.556  0.755  1.0
  S  S25  1  0.687  0.444  0.245  1.0
  S  S26  1  0.189  0.292  0.323  1.0
  S  S27  1  0.689  0.708  0.677  1.0
  S  S28  1  0.802  0.203  0.668  1.0
  S  S29  1  0.302  0.797  0.332  1.0
  S  S30  1  0.314  0.960  0.963  1.0
  S  S31  1  0.814  0.040  0.037  1.0
  S  S32  1  0.679  0.554  0.029  1.0
  S  S33  1  0.179  0.446  0.971  1.0
[/CIF]
.
The crystal structure described by Ca4Sn3S10 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(2), one S(5), one S(6), and two equivalent S(9) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(5), one S(6), one S(7), one S(9), and two equivalent S(10) atoms. In the third Ca site, Ca(3) is bonded to one S(4), one S(5), one S(7), one S(8), and two equivalent S(3) atoms to form distorted CaS6 octahedra that share  a cornercorner with one Sn(2)S6 octahedra,  a cornercorner with one Sn(3)S6 octahedra, corners with two equivalent Ca(3)S6 octahedra, corners with four equivalent Ca(4)S6 octahedra,  an edgeedge with one Ca(4)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and  a faceface with one Sn(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-65°. In the fourth Ca site, Ca(4) is bonded to one S(3), one S(6), one S(7), one S(8), and two equivalent S(4) atoms to form distorted CaS6 octahedra that share  a cornercorner with one Sn(2)S6 octahedra,  a cornercorner with one Sn(3)S6 octahedra, corners with two equivalent Ca(4)S6 octahedra, corners with four equivalent Ca(3)S6 octahedra,  an edgeedge with one Ca(3)S6 octahedra, edges with two equivalent Sn(3)S6 octahedra, and  a faceface with one Sn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(1), one S(2), two equivalent S(10), and two equivalent S(9) atoms to form corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the second Sn site, Sn(2) is bonded to one S(1), one S(3), one S(5), one S(6), one S(7), and one S(8) atom to form SnS6 octahedra that share  a cornercorner with one Ca(3)S6 octahedra,  a cornercorner with one Ca(4)S6 octahedra,  a cornercorner with one Sn(1)S6 octahedra, corners with four equivalent Sn(3)S6 octahedra, edges with two equivalent Ca(3)S6 octahedra, and  a faceface with one Ca(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-63°. In the third Sn site, Sn(3) is bonded to one S(2), one S(4), one S(5), one S(6), one S(7), and one S(8) atom to form SnS6 octahedra that share  a cornercorner with one Ca(3)S6 octahedra,  a cornercorner with one Ca(4)S6 octahedra,  a cornercorner with one Sn(1)S6 octahedra, corners with four equivalent Sn(2)S6 octahedra, edges with two equivalent Ca(4)S6 octahedra, and  a faceface with one Ca(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 34-62°. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(2), and two equivalent Sn(1) atoms. In the second S site, S(1) is bonded to one Ca(1), one Ca(2), one Sn(1), and one Sn(2) atom to form SCa2Sn2 trigonal pyramids that share  a cornercorner with one S(5)Ca3Sn2 square pyramid, corners with three equivalent S(6)Ca3Sn2 trigonal bipyramids, corners with three equivalent S(2)Ca2Sn2 trigonal pyramids, and  an edgeedge with one S(5)Ca3Sn2 square pyramid. In the third S site, S(2) is bonded to one Ca(1), one Ca(2), one Sn(1), and one Sn(3) atom to form SCa2Sn2 trigonal pyramids that share corners with three equivalent S(5)Ca3Sn2 square pyramids,  a cornercorner with one S(6)Ca3Sn2 trigonal bipyramid, corners with three equivalent S(1)Ca2Sn2 trigonal pyramids, and  an edgeedge with one S(6)Ca3Sn2 trigonal bipyramid. In the fourth S site, S(3) is bonded in a distorted see-saw-like geometry to one Ca(4), two equivalent Ca(3), and one Sn(2) atom. In the fifth S site, S(4) is bonded in a distorted see-saw-like geometry to one Ca(3), two equivalent Ca(4), and one Sn(3) atom. In the sixth S site, S(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Sn(2), and one Sn(3) atom to form distorted SCa3Sn2 square pyramids that share  a cornercorner with one S(1)Ca2Sn2 trigonal pyramid, corners with three equivalent S(2)Ca2Sn2 trigonal pyramids, edges with two equivalent S(6)Ca3Sn2 trigonal bipyramids, and  an edgeedge with one S(1)Ca2Sn2 trigonal pyramid. In the seventh S site, S(6) is bonded to one Ca(1), one Ca(2), one Ca(4), one Sn(2), and one Sn(3) atom to form distorted SCa3Sn2 trigonal bipyramids that share  a cornercorner with one S(2)Ca2Sn2 trigonal pyramid, corners with three equivalent S(1)Ca2Sn2 trigonal pyramids, edges with two equivalent S(5)Ca3Sn2 square pyramids, and  an edgeedge with one S(2)Ca2Sn2 trigonal pyramid. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Sn(2), and one Sn(3) atom. In the ninth S site, S(8) is bonded in a distorted see-saw-like geometry to one Ca(3), one Ca(4), one Sn(2), and one Sn(3) atom. In the tenth S site, S(9) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_Ca4Sn3S10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   7.165
_cell_length_c   16.969
_cell_angle_alpha   79.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   810.781
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.535  0.773  0.139  1.0
  Ca  Ca1  1  0.035  0.227  0.861  1.0
  Ca  Ca2  1  0.475  0.729  0.857  1.0
  Ca  Ca3  1  0.975  0.271  0.143  1.0
  Ca  Ca4  1  0.986  0.969  0.408  1.0
  Ca  Ca5  1  0.486  0.031  0.592  1.0
  Ca  Ca6  1  0.010  0.528  0.595  1.0
  Ca  Ca7  1  0.510  0.472  0.405  1.0
  Sn  Sn8  1  0.004  0.750  1.000  1.0
  Sn  Sn9  1  0.504  0.250  0.000  1.0
  Sn  Sn10  1  0.503  0.109  0.288  1.0
  Sn  Sn11  1  0.003  0.891  0.712  1.0
  Sn  Sn12  1  0.500  0.389  0.711  1.0
  Sn  Sn13  1  1.000  0.611  0.289  1.0
  S  S14  1  0.368  0.129  0.144  1.0
  S  S15  1  0.868  0.871  0.856  1.0
  S  S16  1  0.636  0.367  0.856  1.0
  S  S17  1  0.136  0.633  0.144  1.0
  S  S18  1  0.609  0.087  0.431  1.0
  S  S19  1  0.109  0.913  0.569  1.0
  S  S20  1  0.389  0.420  0.568  1.0
  S  S21  1  0.889  0.580  0.432  1.0
  S  S22  1  0.815  0.941  0.247  1.0
  S  S23  1  0.315  0.059  0.753  1.0
  S  S24  1  0.187  0.556  0.755  1.0
  S  S25  1  0.687  0.444  0.245  1.0
  S  S26  1  0.189  0.292  0.323  1.0
  S  S27  1  0.689  0.708  0.677  1.0
  S  S28  1  0.802  0.203  0.668  1.0
  S  S29  1  0.302  0.797  0.332  1.0
  S  S30  1  0.314  0.960  0.963  1.0
  S  S31  1  0.814  0.040  0.037  1.0
  S  S32  1  0.679  0.554  0.029  1.0
  S  S33  1  0.179  0.446  0.971  1.0
[/CIF]
.