The compound described by Lu4MnS7 crystallizes in the monoclinic Cm space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Lu site, Lu(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form LuS6 octahedra that share  a cornercorner with one Lu(4)S6 octahedra,  a cornercorner with one Mn(1)S6 octahedra, and edges with two equivalent Lu(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Lu site, Lu(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form LuS6 octahedra that share  a cornercorner with one Lu(3)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra, edges with two equivalent Lu(4)S6 octahedra, and edges with three equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. Mn(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MnS6 octahedra that share  a cornercorner with one Lu(3)S6 octahedra, corners with two equivalent Lu(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with three equivalent Lu(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-54°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(2), two equivalent Lu(4), and one Mn(1) atom to form SLu4Mn trigonal bipyramids that share  a cornercorner with one S(5)Lu3Mn tetrahedra, corners with four equivalent S(6)Lu4 tetrahedra, corners with two equivalent S(3)Lu5 trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(6)Lu4 tetrahedra,  an edgeedge with one S(4)Lu5 trigonal bipyramid, edges with two equivalent S(2)Lu3Mn2 trigonal bipyramids, and edges with two equivalent S(1)Lu4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Lu(4), two equivalent Lu(1), and two equivalent Mn(1) atoms to form SLu3Mn2 trigonal bipyramids that share  a cornercorner with one S(6)Lu4 tetrahedra, corners with four equivalent S(5)Lu3Mn tetrahedra, corners with two equivalent S(3)Lu5 trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(5)Lu3Mn tetrahedra,  an edgeedge with one S(3)Lu5 trigonal bipyramid, edges with two equivalent S(2)Lu3Mn2 trigonal bipyramids, and edges with two equivalent S(1)Lu4Mn trigonal bipyramids. In the third S site, S(3) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(5)Lu3Mn tetrahedra, corners with two equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with two equivalent S(1)Lu4Mn trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(5)Lu3Mn tetrahedra, edges with two equivalent S(6)Lu4 tetrahedra,  an edgeedge with one S(2)Lu3Mn2 trigonal bipyramid, edges with two equivalent S(3)Lu5 trigonal bipyramids, and edges with three equivalent S(4)Lu5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Lu(1), two equivalent Lu(2), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(6)Lu4 tetrahedra, corners with two equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with two equivalent S(1)Lu4Mn trigonal bipyramids, corners with two equivalent S(3)Lu5 trigonal bipyramids,  an edgeedge with one S(6)Lu4 tetrahedra, edges with two equivalent S(5)Lu3Mn tetrahedra,  an edgeedge with one S(1)Lu4Mn trigonal bipyramid, edges with two equivalent S(4)Lu5 trigonal bipyramids, and edges with three equivalent S(3)Lu5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Lu(3), two equivalent Lu(1), and one Mn(1) atom to form distorted SLu3Mn tetrahedra that share  a cornercorner with one S(6)Lu4 tetrahedra, corners with two equivalent S(5)Lu3Mn tetrahedra,  a cornercorner with one S(1)Lu4Mn trigonal bipyramid, corners with four equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with four equivalent S(3)Lu5 trigonal bipyramids,  an edgeedge with one S(2)Lu3Mn2 trigonal bipyramid,  an edgeedge with one S(3)Lu5 trigonal bipyramid, and edges with two equivalent S(4)Lu5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Lu(3), one Lu(4), and two equivalent Lu(2) atoms to form SLu4 tetrahedra that share  a cornercorner with one S(5)Lu3Mn tetrahedra, corners with two equivalent S(6)Lu4 tetrahedra,  a cornercorner with one S(2)Lu3Mn2 trigonal bipyramid, corners with four equivalent S(1)Lu4Mn trigonal bipyramids, corners with four equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(1)Lu4Mn trigonal bipyramid,  an edgeedge with one S(4)Lu5 trigonal bipyramid, and edges with two equivalent S(3)Lu5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(4) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4MnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.446
_cell_length_c   11.318
_cell_angle_alpha   76.027
_cell_angle_beta   76.027
_cell_angle_gamma   33.573
_symmetry_Int_Tables_number   1
_cell_volume   251.619
_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
  Lu  Lu0  1  0.693  0.693  0.201  1.0
  Lu  Lu1  1  0.306  0.306  0.804  1.0
  Lu  Lu2  1  0.000  0.000  0.004  1.0
  Lu  Lu3  1  0.115  0.115  0.570  1.0
  Mn  Mn4  1  0.886  0.886  0.421  1.0
  S  S5  1  0.744  0.744  0.643  1.0
  S  S6  1  0.263  0.263  0.354  1.0
  S  S7  1  0.340  0.340  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.035  0.035  0.221  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.496  0.496  0.499  1.0
[/CIF]
.
The compound described by Lu4MnS7 crystallizes in the monoclinic Cm space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(4), and two equivalent S(6) atoms. In the third Lu site, Lu(3) is bonded to one S(5), one S(6), two equivalent S(3), and two equivalent S(4) atoms to form LuS6 octahedra that share  a cornercorner with one Lu(4)S6 octahedra,  a cornercorner with one Mn(1)S6 octahedra, and edges with two equivalent Lu(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Lu site, Lu(4) is bonded to one S(2), one S(6), two equivalent S(1), and two equivalent S(7) atoms to form LuS6 octahedra that share  a cornercorner with one Lu(3)S6 octahedra, corners with two equivalent Mn(1)S6 octahedra, edges with two equivalent Lu(4)S6 octahedra, and edges with three equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-53°. Mn(1) is bonded to one S(1), one S(5), two equivalent S(2), and two equivalent S(7) atoms to form MnS6 octahedra that share  a cornercorner with one Lu(3)S6 octahedra, corners with two equivalent Lu(4)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with three equivalent Lu(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-54°. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(2), two equivalent Lu(4), and one Mn(1) atom to form SLu4Mn trigonal bipyramids that share  a cornercorner with one S(5)Lu3Mn tetrahedra, corners with four equivalent S(6)Lu4 tetrahedra, corners with two equivalent S(3)Lu5 trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(6)Lu4 tetrahedra,  an edgeedge with one S(4)Lu5 trigonal bipyramid, edges with two equivalent S(2)Lu3Mn2 trigonal bipyramids, and edges with two equivalent S(1)Lu4Mn trigonal bipyramids. In the second S site, S(2) is bonded to one Lu(4), two equivalent Lu(1), and two equivalent Mn(1) atoms to form SLu3Mn2 trigonal bipyramids that share  a cornercorner with one S(6)Lu4 tetrahedra, corners with four equivalent S(5)Lu3Mn tetrahedra, corners with two equivalent S(3)Lu5 trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(5)Lu3Mn tetrahedra,  an edgeedge with one S(3)Lu5 trigonal bipyramid, edges with two equivalent S(2)Lu3Mn2 trigonal bipyramids, and edges with two equivalent S(1)Lu4Mn trigonal bipyramids. In the third S site, S(3) is bonded to one Lu(2), two equivalent Lu(1), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(5)Lu3Mn tetrahedra, corners with two equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with two equivalent S(1)Lu4Mn trigonal bipyramids, corners with two equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(5)Lu3Mn tetrahedra, edges with two equivalent S(6)Lu4 tetrahedra,  an edgeedge with one S(2)Lu3Mn2 trigonal bipyramid, edges with two equivalent S(3)Lu5 trigonal bipyramids, and edges with three equivalent S(4)Lu5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Lu(1), two equivalent Lu(2), and two equivalent Lu(3) atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent S(6)Lu4 tetrahedra, corners with two equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with two equivalent S(1)Lu4Mn trigonal bipyramids, corners with two equivalent S(3)Lu5 trigonal bipyramids,  an edgeedge with one S(6)Lu4 tetrahedra, edges with two equivalent S(5)Lu3Mn tetrahedra,  an edgeedge with one S(1)Lu4Mn trigonal bipyramid, edges with two equivalent S(4)Lu5 trigonal bipyramids, and edges with three equivalent S(3)Lu5 trigonal bipyramids. In the fifth S site, S(5) is bonded to one Lu(3), two equivalent Lu(1), and one Mn(1) atom to form distorted SLu3Mn tetrahedra that share  a cornercorner with one S(6)Lu4 tetrahedra, corners with two equivalent S(5)Lu3Mn tetrahedra,  a cornercorner with one S(1)Lu4Mn trigonal bipyramid, corners with four equivalent S(2)Lu3Mn2 trigonal bipyramids, corners with four equivalent S(3)Lu5 trigonal bipyramids,  an edgeedge with one S(2)Lu3Mn2 trigonal bipyramid,  an edgeedge with one S(3)Lu5 trigonal bipyramid, and edges with two equivalent S(4)Lu5 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Lu(3), one Lu(4), and two equivalent Lu(2) atoms to form SLu4 tetrahedra that share  a cornercorner with one S(5)Lu3Mn tetrahedra, corners with two equivalent S(6)Lu4 tetrahedra,  a cornercorner with one S(2)Lu3Mn2 trigonal bipyramid, corners with four equivalent S(1)Lu4Mn trigonal bipyramids, corners with four equivalent S(4)Lu5 trigonal bipyramids,  an edgeedge with one S(1)Lu4Mn trigonal bipyramid,  an edgeedge with one S(4)Lu5 trigonal bipyramid, and edges with two equivalent S(3)Lu5 trigonal bipyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to two equivalent Lu(4) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4MnS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.446
_cell_length_c   11.318
_cell_angle_alpha   76.027
_cell_angle_beta   76.027
_cell_angle_gamma   33.573
_symmetry_Int_Tables_number   1
_cell_volume   251.619
_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
  Lu  Lu0  1  0.693  0.693  0.201  1.0
  Lu  Lu1  1  0.306  0.306  0.804  1.0
  Lu  Lu2  1  0.000  0.000  0.004  1.0
  Lu  Lu3  1  0.115  0.115  0.570  1.0
  Mn  Mn4  1  0.886  0.886  0.421  1.0
  S  S5  1  0.744  0.744  0.643  1.0
  S  S6  1  0.263  0.263  0.354  1.0
  S  S7  1  0.340  0.340  0.051  1.0
  S  S8  1  0.660  0.660  0.948  1.0
  S  S9  1  0.035  0.035  0.221  1.0
  S  S10  1  0.962  0.962  0.785  1.0
  S  S11  1  0.496  0.496  0.499  1.0
[/CIF]
.