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LuS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Lu–S bond lengths are 3.21 Å. S+1.50- is bonded to six equivalent Lu3+ and six equivalent S+1.50- atoms to form a mixture of corner, edge, and face-sharing SLu6S6 cuboctahedra. All S–S bond lengths are 2.74 Å.
Gd(LuS2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Lu–S bond distances ranging from 2.63–2.72 Å. In the second Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–50°. There are a spread of Lu–S bond distances ranging from 2.64–2.88 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four equivalent LuS6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Lu–S bond distances ranging from 2.61–2.73 Å. Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.83–2.99 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Lu3+ and three equivalent Gd3+ atoms to form distorted SGd3Lu2 trigonal bipyramids that share corners with four equivalent SGd2Lu3 square pyramids, corners with two equivalent SGd2Lu3 trigonal bipyramids, a cornercorner with one SGdLu3 trigonal pyramid, an edgeedge with one SGd2Lu3 square pyramid, edges with seven SGd3Lu2 trigonal bipyramids, and edges with two equivalent SGdLu3 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Lu3+ atoms. In the third S2- site, S2- is bonded to three Lu3+ and one Gd3+ atom to form distorted SGdLu3 trigonal pyramids that share corners with two equivalent SGd2Lu3 square pyramids, corners with four SGd3Lu2 trigonal bipyramids, corners with two equivalent SGdLu3 trigonal pyramids, edges with three equivalent SGd2Lu3 square pyramids, and edges with two equivalent SGd3Lu2 trigonal bipyramids. In the fourth S2- site, S2- is bonded to three Lu3+ and two equivalent Gd3+ atoms to form distorted SGd2Lu3 trigonal bipyramids that share corners with two equivalent SGd2Lu3 square pyramids, corners with two equivalent SGd3Lu2 trigonal bipyramids, corners with three equivalent SGdLu3 trigonal pyramids, an edgeedge with one SGd2Lu3 square pyramid, and edges with five SGd3Lu2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three equivalent Lu3+ and two equivalent Gd3+ atoms to form distorted SGd2Lu3 square pyramids that share corners with six SGd3Lu2 trigonal bipyramids, corners with two equivalent SGdLu3 trigonal pyramids, edges with four equivalent SGd2Lu3 square pyramids, edges with two SGd3Lu2 trigonal bipyramids, and edges with three equivalent SGdLu3 trigonal pyramids. In the sixth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms.
Eu(LuS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Lu–S bond distances ranging from 2.68–3.10 Å. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.84 Å) and four longer (3.06 Å) Eu–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Lu3+ and two equivalent Eu2+ atoms.
Ca(LuS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to seven S2- atoms to form distorted CaS7 pentagonal bipyramids that share corners with eight LuS6 octahedra, edges with five LuS6 octahedra, edges with two equivalent CaS7 pentagonal bipyramids, and faces with two equivalent CaS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–68°. There are a spread of Ca–S bond distances ranging from 2.86–2.99 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with four equivalent CaS7 pentagonal bipyramids, edges with six LuS6 octahedra, and an edgeedge with one CaS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Lu–S bond distances ranging from 2.67–2.77 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with four equivalent CaS7 pentagonal bipyramids, edges with four LuS6 octahedra, and edges with four equivalent CaS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Lu–S bond distances ranging from 2.66–2.75 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ca2+ and three Lu3+ atoms to form a mixture of distorted edge and corner-sharing SCa2Lu3 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ca2+ and three Lu3+ atoms to form SCa2Lu3 square pyramids that share corners with two equivalent SCa3Lu2 square pyramids, corners with two equivalent SCa2Lu3 trigonal bipyramids, edges with five SCa2Lu3 square pyramids, and edges with three equivalent SCa2Lu3 trigonal bipyramids. In the third S2- site, S2- is bonded to three equivalent Ca2+ and two equivalent Lu3+ atoms to form a mixture of edge and corner-sharing SCa3Lu2 square pyramids. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms.
Ba(LuS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.35 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Lu–S bond distances ranging from 2.66–2.74 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Lu–S bond distances ranging from 2.69–2.75 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+ and three Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Lu3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 trigonal bipyramids.
LuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.79 Å) and four longer (2.86 Å) Lu–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.68 Å.
Pr(LuS2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of Lu–S bond distances ranging from 2.65–2.88 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.64–2.74 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four equivalent LuS6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.62–2.75 Å. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.91–3.04 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Lu3+ atoms. In the second S2- site, S2- is bonded to three Lu3+ and one Pr3+ atom to form distorted SPrLu3 trigonal pyramids that share corners with two equivalent SPr2Lu3 square pyramids, corners with four SPr2Lu3 trigonal bipyramids, corners with two equivalent SPrLu3 trigonal pyramids, edges with three equivalent SPr2Lu3 square pyramids, and edges with two equivalent SPr3Lu2 trigonal bipyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the fourth S2- site, S2- is bonded to three equivalent Lu3+ and two equivalent Pr3+ atoms to form distorted SPr2Lu3 square pyramids that share corners with six SPr2Lu3 trigonal bipyramids, corners with two equivalent SPrLu3 trigonal pyramids, edges with four equivalent SPr2Lu3 square pyramids, edges with two SPr2Lu3 trigonal bipyramids, and edges with three equivalent SPrLu3 trigonal pyramids. In the fifth S2- site, S2- is bonded to three Lu3+ and two equivalent Pr3+ atoms to form distorted SPr2Lu3 trigonal bipyramids that share corners with two equivalent SPr2Lu3 square pyramids, corners with two equivalent SPr3Lu2 trigonal bipyramids, corners with three equivalent SPrLu3 trigonal pyramids, an edgeedge with one SPr2Lu3 square pyramid, and edges with five SPr2Lu3 trigonal bipyramids. In the sixth S2- site, S2- is bonded to two equivalent Lu3+ and three equivalent Pr3+ atoms to form distorted SPr3Lu2 trigonal bipyramids that share corners with four equivalent SPr2Lu3 square pyramids, corners with two equivalent SPr2Lu3 trigonal bipyramids, a cornercorner with one SPrLu3 trigonal pyramid, an edgeedge with one SPr2Lu3 square pyramid, edges with seven SPr2Lu3 trigonal bipyramids, and edges with two equivalent SPrLu3 trigonal pyramids.
Nd4(LuS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Lu–S bond distances ranging from 2.66–2.85 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.61–2.74 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four LuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.63–2.75 Å. In the fourth Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.63–2.74 Å. In the fifth Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.62–2.73 Å. In the sixth Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (2.69 Å) and two longer (2.71 Å) Lu–S bond lengths. There are two inequivalent Nd+2.75+ sites. In the first Nd+2.75+ site, Nd+2.75+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.91–3.03 Å. In the second Nd+2.75+ site, Nd+2.75+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.90–3.41 Å. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded to three Lu3+ and two equivalent Nd+2.75+ atoms to form distorted SNd2Lu3 trigonal bipyramids that share corners with two equivalent SNd2Lu3 square pyramids, corners with two equivalent SNd3Lu2 trigonal bipyramids, corners with two SNdLu3 trigonal pyramids, an edgeedge with one SNd2Lu3 square pyramid, edges with five SNd2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Lu3+ and one Nd+2.75+ atom. In the fourth S2- site, S2- is bonded to three Lu3+ and two equivalent Nd+2.75+ atoms to form distorted SNd2Lu3 square pyramids that share corners with six SNd2Lu3 trigonal bipyramids, corners with two equivalent SNdLu3 trigonal pyramids, edges with four SNd2Lu3 square pyramids, edges with two SNd2Lu3 trigonal bipyramids, and an edgeedge with one SNdLu3 trigonal pyramid. In the fifth S2- site, S2- is bonded to three Lu3+ and two equivalent Nd+2.75+ atoms to form distorted SNd2Lu3 square pyramids that share corners with two equivalent SNd2Lu3 square pyramids, corners with four SNd3Lu2 trigonal bipyramids, edges with five SNd2Lu3 square pyramids, an edgeedge with one SNd3Lu2 trigonal bipyramid, and edges with two equivalent SNdLu3 trigonal pyramids. In the sixth S2- site, S2- is bonded to three Lu3+ and two equivalent Nd+2.75+ atoms to form distorted SNd2Lu3 square pyramids that share corners with four SNd2Lu3 square pyramids, corners with two equivalent SNd3Lu2 trigonal bipyramids, corners with two equivalent SNdLu3 trigonal pyramids, edges with four SNd2Lu3 square pyramids, and edges with three SNd3Lu2 trigonal bipyramids. In the seventh S2- site, S2- is bonded to two equivalent Lu3+ and three Nd+2.75+ atoms to form distorted SNd3Lu2 trigonal bipyramids that share corners with six SNd2Lu3 square pyramids, corners with four equivalent SLu4 trigonal pyramids, edges with two SNd2Lu3 square pyramids, edges with six SNd2Lu3 trigonal bipyramids, and edges with three SNdLu3 trigonal pyramids. In the eighth S2- site, S2- is bonded to three Lu3+ and one Nd+2.75+ atom to form distorted SNdLu3 trigonal pyramids that share corners with four SNd2Lu3 square pyramids, corners with two SNd2Lu3 trigonal bipyramids, corners with five SNdLu3 trigonal pyramids, edges with three SNd2Lu3 square pyramids, and edges with two equivalent SNd3Lu2 trigonal bipyramids. In the ninth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the tenth S2- site, S2- is bonded to four Lu3+ atoms to form distorted SLu4 trigonal pyramids that share corners with five SNd2Lu3 trigonal bipyramids, corners with five SNdLu3 trigonal pyramids, edges with three SNd2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the eleventh S2- site, S2- is bonded to two equivalent Lu3+ and three Nd+2.75+ atoms to form distorted SNd3Lu2 trigonal bipyramids that share corners with four SNd2Lu3 square pyramids, corners with two equivalent SNd2Lu3 trigonal bipyramids, a cornercorner with one SNdLu3 trigonal pyramid, edges with three SNd2Lu3 square pyramids, and edges with five SNd2Lu3 trigonal bipyramids.
Sm4(LuS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Lu–S bond distances ranging from 2.64–2.83 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.59–2.73 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four LuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.60–2.74 Å. In the fourth Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.61–2.72 Å. In the fifth Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.60–2.71 Å. In the sixth Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (2.68 Å) and two longer (2.69 Å) Lu–S bond lengths. There are two inequivalent Sm+2.75+ sites. In the first Sm+2.75+ site, Sm+2.75+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.86–3.00 Å. In the second Sm+2.75+ site, Sm+2.75+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.39 Å. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded to three Lu3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Lu3 trigonal bipyramids that share corners with two equivalent SSm2Lu3 square pyramids, corners with two equivalent SSm3Lu2 trigonal bipyramids, corners with two SSmLu3 trigonal pyramids, an edgeedge with one SSm2Lu3 square pyramid, edges with five SSm2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Lu3+ and one Sm+2.75+ atom. In the fourth S2- site, S2- is bonded to three Lu3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Lu3 square pyramids that share corners with six SSm2Lu3 trigonal bipyramids, corners with two equivalent SSmLu3 trigonal pyramids, edges with four SSm2Lu3 square pyramids, edges with two SSm2Lu3 trigonal bipyramids, and an edgeedge with one SSmLu3 trigonal pyramid. In the fifth S2- site, S2- is bonded to three Lu3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Lu3 square pyramids that share corners with two equivalent SSm2Lu3 square pyramids, corners with four SSm3Lu2 trigonal bipyramids, edges with five SSm2Lu3 square pyramids, an edgeedge with one SSm3Lu2 trigonal bipyramid, and edges with two equivalent SSmLu3 trigonal pyramids. In the sixth S2- site, S2- is bonded to three Lu3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Lu3 square pyramids that share corners with four SSm2Lu3 square pyramids, corners with two equivalent SSm3Lu2 trigonal bipyramids, corners with two equivalent SSmLu3 trigonal pyramids, edges with four SSm2Lu3 square pyramids, and edges with three SSm3Lu2 trigonal bipyramids. In the seventh S2- site, S2- is bonded to two equivalent Lu3+ and three Sm+2.75+ atoms to form distorted SSm3Lu2 trigonal bipyramids that share corners with six SSm2Lu3 square pyramids, corners with four equivalent SLu4 trigonal pyramids, edges with two SSm2Lu3 square pyramids, edges with six SSm2Lu3 trigonal bipyramids, and edges with three SSmLu3 trigonal pyramids. In the eighth S2- site, S2- is bonded to three Lu3+ and one Sm+2.75+ atom to form distorted SSmLu3 trigonal pyramids that share corners with four SSm2Lu3 square pyramids, corners with two SSm2Lu3 trigonal bipyramids, corners with five SSmLu3 trigonal pyramids, edges with three SSm2Lu3 square pyramids, and edges with two equivalent SSm3Lu2 trigonal bipyramids. In the ninth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the tenth S2- site, S2- is bonded to four Lu3+ atoms to form distorted SLu4 trigonal pyramids that share corners with five SSm2Lu3 trigonal bipyramids, corners with five SSmLu3 trigonal pyramids, edges with three SSm2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the eleventh S2- site, S2- is bonded to two equivalent Lu3+ and three Sm+2.75+ atoms to form distorted SSm3Lu2 trigonal bipyramids that share corners with four SSm2Lu3 square pyramids, corners with two equivalent SSm2Lu3 trigonal bipyramids, a cornercorner with one SSmLu3 trigonal pyramid, edges with three SSm2Lu3 square pyramids, and edges with five SSm2Lu3 trigonal bipyramids.
Nd(LuS2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of Lu–S bond distances ranging from 2.65–2.88 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.63–2.73 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four equivalent LuS6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.61–2.75 Å. Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.89–3.03 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Lu3+ atoms. In the second S2- site, S2- is bonded to three Lu3+ and one Nd3+ atom to form distorted SNdLu3 trigonal pyramids that share corners with two equivalent SNd2Lu3 square pyramids, corners with four SNd2Lu3 trigonal bipyramids, corners with two equivalent SNdLu3 trigonal pyramids, edges with three equivalent SNd2Lu3 square pyramids, and edges with two equivalent SNd3Lu2 trigonal bipyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the fourth S2- site, S2- is bonded to three equivalent Lu3+ and two equivalent Nd3+ atoms to form distorted SNd2Lu3 square pyramids that share corners with six SNd2Lu3 trigonal bipyramids, corners with two equivalent SNdLu3 trigonal pyramids, edges with four equivalent SNd2Lu3 square pyramids, edges with two SNd2Lu3 trigonal bipyramids, and edges with three equivalent SNdLu3 trigonal pyramids. In the fifth S2- site, S2- is bonded to three Lu3+ and two equivalent Nd3+ atoms to form distorted SNd2Lu3 trigonal bipyramids that share corners with two equivalent SNd2Lu3 square pyramids, corners with two equivalent SNd3Lu2 trigonal bipyramids, corners with three equivalent SNdLu3 trigonal pyramids, an edgeedge with one SNd2Lu3 square pyramid, and edges with five SNd2Lu3 trigonal bipyramids. In the sixth S2- site, S2- is bonded to two equivalent Lu3+ and three equivalent Nd3+ atoms to form distorted SNd3Lu2 trigonal bipyramids that share corners with four equivalent SNd2Lu3 square pyramids, corners with two equivalent SNd2Lu3 trigonal bipyramids, a cornercorner with one SNdLu3 trigonal pyramid, an edgeedge with one SNd2Lu3 square pyramid, edges with seven SNd2Lu3 trigonal bipyramids, and edges with two equivalent SNdLu3 trigonal pyramids.
Ce(LuS2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Lu–S bond distances ranging from 2.65–2.87 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.63–2.73 Å. In the third Lu3+ site, Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four equivalent LuS6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are a spread of Lu–S bond distances ranging from 2.62–2.74 Å. Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.02 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Lu3+ atoms. In the second S2- site, S2- is bonded to three Lu3+ and one Ce3+ atom to form distorted SCeLu3 trigonal pyramids that share corners with two equivalent SCe2Lu3 square pyramids, corners with four SCe2Lu3 trigonal bipyramids, corners with two equivalent SCeLu3 trigonal pyramids, edges with three equivalent SCe2Lu3 square pyramids, and edges with two equivalent SCe3Lu2 trigonal bipyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the fourth S2- site, S2- is bonded to three equivalent Lu3+ and two equivalent Ce3+ atoms to form distorted SCe2Lu3 square pyramids that share corners with six SCe2Lu3 trigonal bipyramids, corners with two equivalent SCeLu3 trigonal pyramids, edges with four equivalent SCe2Lu3 square pyramids, edges with two SCe2Lu3 trigonal bipyramids, and edges with three equivalent SCeLu3 trigonal pyramids. In the fifth S2- site, S2- is bonded to three Lu3+ and two equivalent Ce3+ atoms to form distorted SCe2Lu3 trigonal bipyramids that share corners with two equivalent SCe2Lu3 square pyramids, corners with two equivalent SCe3Lu2 trigonal bipyramids, corners with three equivalent SCeLu3 trigonal pyramids, an edgeedge with one SCe2Lu3 square pyramid, and edges with five SCe2Lu3 trigonal bipyramids. In the sixth S2- site, S2- is bonded to two equivalent Lu3+ and three equivalent Ce3+ atoms to form distorted SCe3Lu2 trigonal bipyramids that share corners with four equivalent SCe2Lu3 square pyramids, corners with two equivalent SCe2Lu3 trigonal bipyramids, a cornercorner with one SCeLu3 trigonal pyramid, an edgeedge with one SCe2Lu3 square pyramid, edges with seven SCe2Lu3 trigonal bipyramids, and edges with two equivalent SCeLu3 trigonal pyramids.
Pr4(LuS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Lu sites. In the first Lu site, Lu is bonded to seven S atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Lu–S bond distances ranging from 2.66–2.85 Å. In the second Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Lu–S bond distances ranging from 2.61–2.73 Å. In the third Lu site, Lu is bonded to six S atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four LuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.62–2.75 Å. In the fourth Lu site, Lu is bonded to six S atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.63–2.74 Å. In the fifth Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Lu–S bond distances ranging from 2.62–2.73 Å. In the sixth Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (2.69 Å) and two longer (2.72 Å) Lu–S bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Pr–S bond distances ranging from 2.92–3.04 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to eight S atoms. There are a spread of Pr–S bond distances ranging from 2.91–3.42 Å. There are eleven inequivalent S sites. In the first S site, S is bonded to three Lu and two equivalent Pr atoms to form SPr2Lu3 trigonal bipyramids that share corners with two equivalent SPr2Lu3 square pyramids, corners with two equivalent SPr3Lu2 trigonal bipyramids, corners with two SPrLu3 trigonal pyramids, an edgeedge with one SPr2Lu3 square pyramid, edges with five SPr2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the second S site, S is bonded in a rectangular see-saw-like geometry to four Lu atoms. In the third S site, S is bonded in a 4-coordinate geometry to three Lu and one Pr atom. In the fourth S site, S is bonded to three Lu and two equivalent Pr atoms to form SPr2Lu3 square pyramids that share corners with six SPr2Lu3 trigonal bipyramids, corners with two equivalent SPrLu3 trigonal pyramids, edges with four SPr2Lu3 square pyramids, edges with two SPr2Lu3 trigonal bipyramids, and an edgeedge with one SPrLu3 trigonal pyramid. In the fifth S site, S is bonded to three Lu and two equivalent Pr atoms to form SPr2Lu3 square pyramids that share corners with two equivalent SPr2Lu3 square pyramids, corners with four SPr3Lu2 trigonal bipyramids, edges with five SPr2Lu3 square pyramids, an edgeedge with one SPr3Lu2 trigonal bipyramid, and edges with two equivalent SPrLu3 trigonal pyramids. In the sixth S site, S is bonded to three Lu and two equivalent Pr atoms to form SPr2Lu3 square pyramids that share corners with four SPr2Lu3 square pyramids, corners with two equivalent SPr3Lu2 trigonal bipyramids, corners with two equivalent SPrLu3 trigonal pyramids, edges with four SPr2Lu3 square pyramids, and edges with three SPr3Lu2 trigonal bipyramids. In the seventh S site, S is bonded to two equivalent Lu and three Pr atoms to form distorted SPr3Lu2 trigonal bipyramids that share corners with six SPr2Lu3 square pyramids, corners with four equivalent SLu4 trigonal pyramids, edges with two SPr2Lu3 square pyramids, edges with six SPr2Lu3 trigonal bipyramids, and edges with three SPrLu3 trigonal pyramids. In the eighth S site, S is bonded to three Lu and one Pr atom to form SPrLu3 trigonal pyramids that share corners with four SPr2Lu3 square pyramids, corners with two SPr2Lu3 trigonal bipyramids, corners with five SPrLu3 trigonal pyramids, edges with three SPr2Lu3 square pyramids, and edges with two equivalent SPr3Lu2 trigonal bipyramids. In the ninth S site, S is bonded in a rectangular see-saw-like geometry to four Lu atoms. In the tenth S site, S is bonded to four Lu atoms to form distorted SLu4 trigonal pyramids that share corners with five SPr2Lu3 trigonal bipyramids, corners with five SPrLu3 trigonal pyramids, edges with three SPr2Lu3 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the eleventh S site, S is bonded to two equivalent Lu and three Pr atoms to form distorted SPr3Lu2 trigonal bipyramids that share corners with four SPr2Lu3 square pyramids, corners with two equivalent SPr2Lu3 trigonal bipyramids, a cornercorner with one SPrLu3 trigonal pyramid, edges with three SPr2Lu3 square pyramids, and edges with five SPr2Lu3 trigonal bipyramids.
Ce4Lu11S22 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Lu sites. In the first Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.60–2.72 Å. In the second Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Lu–S bond distances ranging from 2.60–2.72 Å. In the third Lu site, Lu is bonded to six S atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, corners with two equivalent LuS7 pentagonal bipyramids, and edges with four LuS6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.60–2.73 Å. In the fourth Lu site, Lu is bonded to six S atoms to form LuS6 octahedra that share corners with three equivalent LuS6 octahedra, a cornercorner with one LuS7 pentagonal bipyramid, edges with four equivalent LuS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Lu–S bond distances ranging from 2.62–2.73 Å. In the fifth Lu site, Lu is bonded to seven S atoms to form distorted LuS7 pentagonal bipyramids that share corners with three LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Lu–S bond distances ranging from 2.64–2.84 Å. In the sixth Lu site, Lu is bonded to six S atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four shorter (2.67 Å) and two longer (2.71 Å) Lu–S bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to eight S atoms. There are a spread of Ce–S bond distances ranging from 2.89–3.01 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to eight S atoms. There are a spread of Ce–S bond distances ranging from 2.87–3.38 Å. There are eleven inequivalent S sites. In the first S site, S is bonded to three Lu and two equivalent Ce atoms to form SCe2Lu3 square pyramids that share corners with four SCe2Lu3 square pyramids, corners with two equivalent SCe3Lu2 trigonal bipyramids, corners with two equivalent SCeLu3 trigonal pyramids, edges with four SCe2Lu3 square pyramids, and edges with three SCe3Lu2 trigonal bipyramids. In the second S site, S is bonded to three Lu and one Ce atom to form SCeLu3 trigonal pyramids that share corners with four SCe2Lu3 square pyramids, corners with two SCe2Lu3 trigonal bipyramids, corners with five SCeLu3 trigonal pyramids, edges with three SCe2Lu3 square pyramids, and edges with two equivalent SCe3Lu2 trigonal bipyramids. In the third S site, S is bonded in a rectangular see-saw-like geometry to four Lu atoms. In the fourth S site, S is bonded to two equivalent Lu and three Ce atoms to form distorted SCe3Lu2 trigonal bipyramids that share corners with six SCe2Lu3 square pyramids, corners with four equivalent SLu4 trigonal pyramids, edges with two SCe2Lu3 square pyramids, edges with six SCe3Lu2 trigonal bipyramids, and edges with three SCeLu3 trigonal pyramids. In the fifth S site, S is bonded in a rectangular see-saw-like geometry to four Lu atoms. In the sixth S site, S is bonded to three Lu and two equivalent Ce atoms to form SCe2Lu3 square pyramids that share corners with six SCe3Lu2 trigonal bipyramids, corners with two equivalent SCeLu3 trigonal pyramids, edges with four SCe2Lu3 square pyramids, edges with two SCe2Lu3 trigonal bipyramids, and an edgeedge with one SCeLu3 trigonal pyramid. In the seventh S site, S is bonded to three Lu and two equivalent Ce atoms to form SCe2Lu3 trigonal bipyramids that share corners with two equivalent SCe2Lu3 square pyramids, corners with two equivalent SCe3Lu2 trigonal bipyramids, corners with two SCeLu3 trigonal pyramids, an edgeedge with one SCe2Lu3 square pyramid, edges with five SCe3Lu2 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the eighth S site, S is bonded to three Lu and two equivalent Ce atoms to form SCe2Lu3 square pyramids that share corners with two equivalent SCe2Lu3 square pyramids, corners with four SCe3Lu2 trigonal bipyramids, edges with five SCe2Lu3 square pyramids, an edgeedge with one SCe3Lu2 trigonal bipyramid, and edges with two equivalent SCeLu3 trigonal pyramids. In the ninth S site, S is bonded to two equivalent Lu and three Ce atoms to form distorted SCe3Lu2 trigonal bipyramids that share corners with four SCe2Lu3 square pyramids, corners with two equivalent SCe2Lu3 trigonal bipyramids, a cornercorner with one SCeLu3 trigonal pyramid, edges with three SCe2Lu3 square pyramids, and edges with five SCe3Lu2 trigonal bipyramids. In the tenth S site, S is bonded to four Lu atoms to form distorted SLu4 trigonal pyramids that share corners with five SCe3Lu2 trigonal bipyramids, corners with five SCeLu3 trigonal pyramids, edges with three SCe3Lu2 trigonal bipyramids, and edges with two equivalent SLu4 trigonal pyramids. In the eleventh S site, S is bonded in a 4-coordinate geometry to three Lu and one Ce atom.
SrLu2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.07–3.27 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Lu–S bond distances ranging from 2.66–2.73 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Lu–S bond distances ranging from 2.65–2.73 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Lu3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 square pyramids. In the third S2- site, S2- is bonded to two equivalent Sr2+ and three Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 trigonal bipyramids. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Lu3 trigonal bipyramids.