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ThY crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Y atoms. All Th–Th bond lengths are 3.46 Å. All Th–Y bond lengths are 3.49 Å. Y is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Y atoms. All Y–Y bond lengths are 3.46 Å.
Y2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.02–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.58–2.66 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.57–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ir, and six Ga atoms. There are four shorter (2.75 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Y, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.96 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, three Ir, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.
Y2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.38 Å.
La4(YS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La+2.75+ sites. In the first La+2.75+ site, La+2.75+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.08 Å. In the second La+2.75+ site, La+2.75+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.48 Å. There are six inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven S2- atoms to form distorted YS7 pentagonal bipyramids that share corners with three YS6 octahedra, edges with two equivalent YS6 octahedra, and edges with four equivalent YS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–50°. There are a spread of Y–S bond distances ranging from 2.71–2.90 Å. In the second Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YS6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Y–S bond distances ranging from 2.66–2.80 Å. In the third Y3+ site, Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with three equivalent YS6 octahedra, corners with two equivalent YS7 pentagonal bipyramids, and edges with four YS6 octahedra. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Y–S bond distances ranging from 2.67–2.82 Å. In the fourth Y3+ site, Y3+ is bonded to six S2- atoms to form YS6 octahedra that share corners with three equivalent YS6 octahedra, a cornercorner with one YS7 pentagonal bipyramid, edges with four equivalent YS6 octahedra, and edges with two equivalent YS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Y–S bond distances ranging from 2.68–2.79 Å. In the fifth Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YS6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Y–S bond distances ranging from 2.67–2.79 Å. In the sixth Y3+ site, Y3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.74 Å) and four longer (2.75 Å) Y–S bond lengths. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent La+2.75+ and three Y3+ atoms to form distorted SLa2Y3 trigonal bipyramids that share corners with two equivalent SLa2Y3 square pyramids, corners with two equivalent SLa3Y2 trigonal bipyramids, corners with two SLaY3 trigonal pyramids, an edgeedge with one SLa2Y3 square pyramid, edges with five SLa2Y3 trigonal bipyramids, and edges with two equivalent SY4 trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one La+2.75+ and three Y3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent La+2.75+ and three Y3+ atoms to form distorted SLa2Y3 square pyramids that share corners with six SLa2Y3 trigonal bipyramids, corners with two equivalent SLaY3 trigonal pyramids, edges with four SLa2Y3 square pyramids, edges with two SLa2Y3 trigonal bipyramids, and an edgeedge with one SLaY3 trigonal pyramid. In the fifth S2- site, S2- is bonded to two equivalent La+2.75+ and three Y3+ atoms to form distorted SLa2Y3 square pyramids that share corners with two equivalent SLa2Y3 square pyramids, corners with four SLa3Y2 trigonal bipyramids, edges with five SLa2Y3 square pyramids, an edgeedge with one SLa3Y2 trigonal bipyramid, and edges with two equivalent SLaY3 trigonal pyramids. In the sixth S2- site, S2- is bonded to two equivalent La+2.75+ and three Y3+ atoms to form distorted SLa2Y3 square pyramids that share corners with four SLa2Y3 square pyramids, corners with two equivalent SLa3Y2 trigonal bipyramids, corners with two equivalent SLaY3 trigonal pyramids, edges with four SLa2Y3 square pyramids, and edges with three SLa3Y2 trigonal bipyramids. In the seventh S2- site, S2- is bonded to three La+2.75+ and two equivalent Y3+ atoms to form distorted SLa3Y2 trigonal bipyramids that share corners with six SLa2Y3 square pyramids, corners with four equivalent SY4 trigonal pyramids, edges with two SLa2Y3 square pyramids, edges with six SLa2Y3 trigonal bipyramids, and edges with three SLaY3 trigonal pyramids. In the eighth S2- site, S2- is bonded to one La+2.75+ and three Y3+ atoms to form distorted SLaY3 trigonal pyramids that share corners with four SLa2Y3 square pyramids, corners with two SLa2Y3 trigonal bipyramids, corners with five SLaY3 trigonal pyramids, edges with three SLa2Y3 square pyramids, and edges with two equivalent SLa3Y2 trigonal bipyramids. In the ninth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms. In the tenth S2- site, S2- is bonded to four Y3+ atoms to form distorted SY4 trigonal pyramids that share corners with five SLa2Y3 trigonal bipyramids, corners with five SLaY3 trigonal pyramids, edges with three SLa2Y3 trigonal bipyramids, and edges with two equivalent SY4 trigonal pyramids. In the eleventh S2- site, S2- is bonded to three La+2.75+ and two equivalent Y3+ atoms to form distorted SLa3Y2 trigonal bipyramids that share corners with four SLa2Y3 square pyramids, corners with two equivalent SLa2Y3 trigonal bipyramids, a cornercorner with one SLaY3 trigonal pyramid, edges with three SLa2Y3 square pyramids, and edges with five SLa2Y3 trigonal bipyramids.
ThY is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded to six equivalent Th and six equivalent Y atoms to form ThY6Th6 cuboctahedra that share corners with eighteen equivalent ThY6Th6 cuboctahedra, edges with six equivalent ThY6Th6 cuboctahedra, edges with twelve equivalent YY6Th6 cuboctahedra, faces with eight equivalent ThY6Th6 cuboctahedra, and faces with twelve equivalent YY6Th6 cuboctahedra. All Th–Th bond lengths are 3.53 Å. All Th–Y bond lengths are 3.61 Å. Y is bonded to six equivalent Th and six equivalent Y atoms to form YY6Th6 cuboctahedra that share corners with eighteen equivalent YY6Th6 cuboctahedra, edges with six equivalent YY6Th6 cuboctahedra, edges with twelve equivalent ThY6Th6 cuboctahedra, faces with eight equivalent YY6Th6 cuboctahedra, and faces with twelve equivalent ThY6Th6 cuboctahedra. All Y–Y bond lengths are 3.53 Å.
Mg2Y3Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.18 Å) and three longer (2.42 Å) Mg–O bond lengths. Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.22–2.88 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Mg, one Y, and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Y atoms. In the third O site, O is bonded to two equivalent Mg, one Y, and one Si atom to form distorted edge-sharing OYMg2Si tetrahedra. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one Si atom.
LaY crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent La and six equivalent Y atoms to form LaLa6Y6 cuboctahedra that share corners with twelve equivalent LaLa6Y6 cuboctahedra, edges with twelve equivalent LaLa6Y6 cuboctahedra, edges with twelve equivalent YLa6Y6 cuboctahedra, faces with six equivalent LaLa6Y6 cuboctahedra, and faces with twelve equivalent YLa6Y6 cuboctahedra. All La–La bond lengths are 3.68 Å. All La–Y bond lengths are 3.66 Å. Y is bonded to six equivalent La and six equivalent Y atoms to form YLa6Y6 cuboctahedra that share corners with eighteen equivalent YLa6Y6 cuboctahedra, edges with six equivalent YLa6Y6 cuboctahedra, edges with twelve equivalent LaLa6Y6 cuboctahedra, faces with eight equivalent YLa6Y6 cuboctahedra, and faces with twelve equivalent LaLa6Y6 cuboctahedra. All Y–Y bond lengths are 3.68 Å.
YAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.20 Å) and four longer (3.35 Å) Y–Ag bond lengths. There are one shorter (2.99 Å) and four longer (3.02 Å) Y–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Y, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.16 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Ag atoms.
Y2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.08 Å) and three longer (3.32 Å) Y–Fe bond lengths. All Y–C bond lengths are 2.50 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with four equivalent FeY2Fe10 cuboctahedra, corners with two equivalent CY2Fe4 octahedra, faces with four equivalent FeY2Fe10 cuboctahedra, and faces with four equivalent CY2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.44–2.65 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–C bond length is 1.87 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.66 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.37 Å. C is bonded to two equivalent Y and four Fe atoms to form CY2Fe4 octahedra that share corners with two equivalent FeY2Fe10 cuboctahedra, corners with four equivalent CY2Fe4 octahedra, and faces with four equivalent FeY2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
Y6Cr(GeS7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.76–3.28 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.36 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.72–3.34 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.73–3.23 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.71–3.12 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.71–3.17 Å. Cr2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Cr–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.20–2.25 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.24 Å) Ge–S bond lengths. There are fourteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Cr2+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ and one Cr2+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ and one Cr2+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Cr2+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Cr2+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Y3+ and one Cr2+ atom. In the seventh S2- site, S2- is bonded in a tetrahedral geometry to three Y3+ and one Ge4+ atom. In the eighth S2- site, S2- is bonded in a distorted tetrahedral geometry to three Y3+ and one Ge4+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the tenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the thirteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the fourteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom.
LaYCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of La–Co bond distances ranging from 2.89–3.25 Å. Y is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.17 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one La, two equivalent Y, and six Co atoms. There are two shorter (2.44 Å) and four longer (2.45 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent La, one Y, and six Co atoms. There are four shorter (2.44 Å) and two longer (2.47 Å) Co–Co bond lengths. In the third Co site, Co is bonded to four equivalent Y and eight Co atoms to form CoY4Co8 cuboctahedra that share corners with sixteen CoLa2Y2Co8 cuboctahedra, edges with ten CoLa2Y2Co8 cuboctahedra, and faces with ten CoY4Co8 cuboctahedra. All Co–Co bond lengths are 2.44 Å. In the fourth Co site, Co is bonded to four equivalent La and eight Co atoms to form CoLa4Co8 cuboctahedra that share corners with sixteen CoLa2Y2Co8 cuboctahedra, edges with ten CoLa2Y2Co8 cuboctahedra, and faces with ten CoLa4Co8 cuboctahedra. All Co–Co bond lengths are 2.54 Å. In the fifth Co site, Co is bonded to two equivalent La, two equivalent Y, and eight Co atoms to form a mixture of edge, face, and corner-sharing CoLa2Y2Co8 cuboctahedra. There are one shorter (2.40 Å) and one longer (2.56 Å) Co–Co bond lengths.
YCo4Ge crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to fourteen Co and four equivalent Ge atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.17 Å. All Y–Ge bond lengths are 3.19 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Y, four equivalent Co, and two equivalent Ge atoms. All Co–Co bond lengths are 2.46 Å. Both Co–Ge bond lengths are 2.46 Å. In the second Co site, Co is bonded to four equivalent Y, six Co, and two equivalent Ge atoms to form distorted CoY4Co6Ge2 cuboctahedra that share corners with four equivalent GeY4Co8 cuboctahedra, corners with twelve equivalent CoY4Co6Ge2 cuboctahedra, edges with four equivalent GeY4Co8 cuboctahedra, edges with six equivalent CoY4Co6Ge2 cuboctahedra, faces with four equivalent GeY4Co8 cuboctahedra, and faces with six equivalent CoY4Co6Ge2 cuboctahedra. Both Co–Co bond lengths are 2.48 Å. Both Co–Ge bond lengths are 2.47 Å. Ge is bonded to four equivalent Y and eight Co atoms to form distorted GeY4Co8 cuboctahedra that share corners with eight equivalent CoY4Co6Ge2 cuboctahedra, corners with eight equivalent GeY4Co8 cuboctahedra, edges with two equivalent GeY4Co8 cuboctahedra, edges with eight equivalent CoY4Co6Ge2 cuboctahedra, faces with two equivalent GeY4Co8 cuboctahedra, and faces with eight equivalent CoY4Co6Ge2 cuboctahedra.
ThYCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 2.83–3.18 Å. Y is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.84–3.16 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Th, two equivalent Y, and six Co atoms. There are four shorter (2.44 Å) and two longer (2.45 Å) Co–Co bond lengths. In the second Co site, Co is bonded to two equivalent Th, one Y, and six Co atoms to form distorted CoYTh2Co6 cuboctahedra that share corners with nineteen CoY2Th2Co8 cuboctahedra, edges with twelve CoY2Th2Co8 cuboctahedra, and faces with nine CoYTh2Co6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.45 Å) Co–Co bond lengths. In the third Co site, Co is bonded to four equivalent Y and eight Co atoms to form CoY4Co8 cuboctahedra that share corners with sixteen CoY2Th2Co8 cuboctahedra, edges with eighteen CoY2Th2Co8 cuboctahedra, and faces with ten CoY4Co8 cuboctahedra. All Co–Co bond lengths are 2.44 Å. In the fourth Co site, Co is bonded to four equivalent Th and eight Co atoms to form CoTh4Co8 cuboctahedra that share corners with twenty-four CoY2Th2Co8 cuboctahedra, edges with ten CoY2Th2Co8 cuboctahedra, and faces with fourteen CoYTh2Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the fifth Co site, Co is bonded to two equivalent Th, two equivalent Y, and eight Co atoms to form a mixture of edge, face, and corner-sharing CoY2Th2Co8 cuboctahedra. There are one shorter (2.43 Å) and one longer (2.48 Å) Co–Co bond lengths.
Y3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Si atoms to form distorted YY8Si4 cuboctahedra that share corners with twelve equivalent YY8Si4 cuboctahedra, edges with eight equivalent SiY12 cuboctahedra, edges with sixteen equivalent YY8Si4 cuboctahedra, faces with four equivalent SiY12 cuboctahedra, and faces with fourteen equivalent YY8Si4 cuboctahedra. All Y–Y bond lengths are 3.30 Å. All Y–Si bond lengths are 3.30 Å. Si is bonded to twelve equivalent Y atoms to form SiY12 cuboctahedra that share corners with twelve equivalent SiY12 cuboctahedra, edges with twenty-four equivalent YY8Si4 cuboctahedra, faces with six equivalent SiY12 cuboctahedra, and faces with twelve equivalent YY8Si4 cuboctahedra.
Y9Al(GeS7)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Y–S bond distances ranging from 2.66–3.07 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.74–3.24 Å. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.36 Å. In the fourth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–2.94 Å. In the fifth Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Y–S bond distances ranging from 2.67–3.06 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.74–3.25 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.40 Å) and three longer (2.50 Å) Al–S bond lengths. In the second Al3+ site, Al3+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.40 Å) and three longer (2.50 Å) Al–S bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.21–2.25 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.21 Å) and three longer (2.24 Å) Ge–S bond lengths. There are fourteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Y3+ and one Ge4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Y3+ and one Al3+ atom. In the ninth S2- site, S2- is bonded to three Y3+ and one Al3+ atom to form distorted SY3Al trigonal pyramids that share corners with three SY3Ge tetrahedra and edges with two equivalent SY3Al trigonal pyramids. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to four Y3+ and one Al3+ atom. In the twelfth S2- site, S2- is bonded to three Y3+ and one Al3+ atom to form distorted SY3Al trigonal pyramids that share corners with three SY3Ge tetrahedra and edges with two equivalent SY3Al trigonal pyramids. In the thirteenth S2- site, S2- is bonded to three Y3+ and one Ge4+ atom to form corner-sharing SY3Ge tetrahedra. In the fourteenth S2- site, S2- is bonded to three Y3+ and one Ge4+ atom to form distorted corner-sharing SY3Ge tetrahedra.
MgY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Y atoms to form MgY12 cuboctahedra that share corners with six equivalent MgY12 cuboctahedra, corners with twelve equivalent YY8Mg4 cuboctahedra, edges with eighteen equivalent YY8Mg4 cuboctahedra, faces with eight equivalent MgY12 cuboctahedra, and faces with twelve equivalent YY8Mg4 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.52 Å) Mg–Y bond lengths. Y is bonded to four equivalent Mg and eight equivalent Y atoms to form YY8Mg4 cuboctahedra that share corners with four equivalent MgY12 cuboctahedra, corners with fourteen equivalent YY8Mg4 cuboctahedra, edges with six equivalent MgY12 cuboctahedra, edges with twelve equivalent YY8Mg4 cuboctahedra, faces with four equivalent MgY12 cuboctahedra, and faces with sixteen equivalent YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.45–3.59 Å.
YAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.08 Å) and one longer (3.21 Å) Y–Au bond lengths. There are two shorter (3.24 Å) and four longer (3.42 Å) Y–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Cd atoms. All Au–Cd bond lengths are 2.84 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Y and four Au atoms.
GdY3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Y atoms to form GdY12 cuboctahedra that share corners with twelve equivalent GdY12 cuboctahedra, edges with twenty-four equivalent YGd4Y8 cuboctahedra, faces with six equivalent GdY12 cuboctahedra, and faces with twelve equivalent YGd4Y8 cuboctahedra. All Gd–Y bond lengths are 3.60 Å. Y is bonded to four equivalent Gd and eight equivalent Y atoms to form YGd4Y8 cuboctahedra that share corners with twelve equivalent YGd4Y8 cuboctahedra, edges with eight equivalent GdY12 cuboctahedra, edges with sixteen equivalent YGd4Y8 cuboctahedra, faces with four equivalent GdY12 cuboctahedra, and faces with fourteen equivalent YGd4Y8 cuboctahedra. All Y–Y bond lengths are 3.60 Å.
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