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Materials Data on CeMnSn2 by Materials Project

CeMnSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Mn and ten Sn atoms. All Ce–Mn bond lengths are 3.57 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.61 Å. Mn is bonded in a 5-coordinate geometry to four equivalent Ce and five Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.53–2.65 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to six equivalent Ce and one Mn atom. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Mn atoms.

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Materials Data on Pr2Zn5Sn by Materials Project

Pr2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of Pr–Zn bond distances ranging from 3.16–3.34 Å. Both Pr–Sn bond lengths are 3.38 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of Pr–Zn bond distances ranging from 3.24–3.65 Å. All Pr–Sn bond lengths are 3.34 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Pr and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.93 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five Pr, four Zn, and one Sn atom. The Zn–Zn bond length is 2.57 Å. The Zn–Sn bond length is 2.72 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five Pr, six Zn, and one Sn atom. The Zn–Sn bond length is 2.65 Å. Sn is bonded in a 9-coordinate geometry to six Pr and three Zn atoms.

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Materials Data on Mg6Sn2Ge by Materials Project

Mg6Sn2Ge is alpha bismuth trifluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Sn and one Ge atom to form MgSn3Ge tetrahedra that share corners with sixteen MgSn3Ge tetrahedra and edges with six MgSn4 tetrahedra. All Mg–Sn bond lengths are 2.91 Å. The Mg–Ge bond length is 2.81 Å. In the second Mg site, Mg is bonded to one Sn and three equivalent Ge atoms to form a mixture of corner and edge-sharing MgSnGe3 tetrahedra. The Mg–Sn bond length is 2.92 Å. All Mg–Ge bond lengths are 2.88 Å. In the third Mg site, Mg is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing MgSn4 tetrahedra. There are three shorter (2.90 Å) and one longer (2.91 Å) Mg–Sn bond lengths. In the fourth Mg site, Mg is bonded to one Sn and three equivalent Ge atoms to form a mixture of corner and edge-sharing MgSnGe3 tetrahedra. The Mg–Sn bond length is 2.92 Å. All Mg–Ge bond lengths are 2.88 Å. Sn is bonded in a body-centered cubic geometry to eight Mg atoms. Ge is bonded in a body-centered cubic geometry to eight Mg atoms.

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Materials Data on SnCl4O5 by Materials Project

(Sn(OCl2)2)2(O2)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and four Sn(OCl2)2 clusters. In each Sn(OCl2)2 cluster, Sn is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Sn–O bond lengths are 2.16 Å. There are two shorter (2.35 Å) and two longer (2.50 Å) Sn–Cl bond lengths. O is bonded in a single-bond geometry to one Sn atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sn atom.

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Materials Data on CeMg14Sn by Materials Project

Mg14CeSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with fourteen MgMg12 cuboctahedra, edges with fourteen MgCeMg10Sn cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.28 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent SnCe2Mg10 cuboctahedra, corners with fourteen MgMg12 cuboctahedra, edges with eighteen MgCeMg10Sn cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.28 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ce, and two equivalent Sn atoms to form distorted MgCe2Mg8Sn2 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, edges with ten MgCe2Mg8Sn2 cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with fourteen MgCe2Mg8Sn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.29 Å. There are one shorter (3.26 Å) and one longer (3.29 Å) Mg–Ce bond lengths. There are one shorter (3.24 Å) and one longer (3.32 Å) Mg–Sn bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent CeMg10Sn2 cuboctahedra, corners with four equivalent SnCe2Mg10 cuboctahedra, corners with ten MgCe2Mg8Sn2 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.25 Å. In the fifth Mg site, Mg is bonded to ten Mg, one Ce, and one Sn atom to form distorted MgCeMg10Sn cuboctahedra that share corners with fourteen MgCeMg10Sn cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, edges with twelve MgMg12 cuboctahedra, a faceface with one CeMg10Sn2 cuboctahedra, a faceface with one SnCe2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.31 Å. The Mg–Ce bond length is 3.27 Å. The Mg–Sn bond length is 3.25 Å. In the sixth Mg site, Mg is bonded in a distorted single-bond geometry to eleven Mg and one Sn atom. Both Mg–Mg bond lengths are 3.24 Å. The Mg–Sn bond length is 3.23 Å. In the seventh Mg site, Mg is bonded to eleven Mg and one Ce atom to form MgCeMg11 cuboctahedra that share corners with fourteen MgCeMg10Sn cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, a faceface with one CeMg10Sn2 cuboctahedra, faces with three equivalent SnCe2Mg10 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. The Mg–Ce bond length is 3.27 Å. Ce is bonded to ten Mg and two equivalent Sn atoms to form CeMg10Sn2 cuboctahedra that share corners with six equivalent CeMg10Sn2 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent SnCe2Mg10 cuboctahedra, edges with sixteen MgCeMg10Sn cuboctahedra, faces with two equivalent SnCe2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. Both Ce–Sn bond lengths are 3.24 Å. Sn is bonded to ten Mg and two equivalent Ce atoms to form SnCe2Mg10 cuboctahedra that share corners with six equivalent SnCe2Mg10 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent CeMg10Sn2 cuboctahedra, edges with twelve MgCeMg10Sn cuboctahedra, faces with two equivalent CeMg10Sn2 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra.

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Materials Data on SrCu9Sn4 by Materials Project

SrCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.64 Å) and eight longer (3.66 Å) Sr–Cu bond lengths. All Sr–Sn bond lengths are 3.55 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Sr, six Cu, and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing CuSr2Cu6Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.78 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.71 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Sr, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.59–2.97 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of face and corner-sharing CuCu8Sn4 cuboctahedra. All Cu–Sn bond lengths are 2.76 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Sr and nine Cu atoms.

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Materials Data on SmSn2 by Materials Project

SmSn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.22–3.55 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Sm atoms. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Sm atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six equivalent Sm atoms.

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Materials Data on YbCdSn by Materials Project

YbCdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to six equivalent Cd and five Sn atoms. There are two shorter (3.40 Å) and four longer (3.68 Å) Yb–Cd bond lengths. There are one shorter (3.26 Å) and four longer (3.27 Å) Yb–Sn bond lengths. Cd is bonded in a 12-coordinate geometry to six equivalent Yb, two equivalent Cd, and four Sn atoms. Both Cd–Cd bond lengths are 3.36 Å. There are two shorter (2.91 Å) and two longer (3.04 Å) Cd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Cd atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cd atoms.

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Materials Data on Sn4Rh by Materials Project

RhSn4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Rh is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.76–2.90 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Rh atoms. In the second Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Rh atoms. In the third Sn site, Sn is bonded in a distorted bent 120 degrees geometry to two equivalent Rh atoms.

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Materials Data on LiLaSn2 by Materials Project

LiLaSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. All Li–La bond lengths are 3.53 Å. There are a spread of Li–Sn bond distances ranging from 2.56–2.70 Å. La is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.46–3.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent La atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent La atoms to form a mixture of distorted edge and face-sharing SnLi4La4 tetrahedra.

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Materials Data on Ba2Na(SnAs)6 by Materials Project

NaBa2(SnAs)6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NaBa2(SnAs)6 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six As3- atoms to form NaAs6 octahedra that share edges with six equivalent BaAs6 octahedra. All Na–As bond lengths are 3.25 Å. Ba2+ is bonded to six As3- atoms to form BaAs6 octahedra that share edges with three equivalent NaAs6 octahedra and edges with three equivalent BaAs6 octahedra. All Ba–As bond lengths are 3.29 Å. There are two inequivalent Sn+2.17+ sites. In the first Sn+2.17+ site, Sn+2.17+ is bonded in a distorted trigonal non-coplanar geometry to three As3- atoms. There are a spread of Sn–As bond distances ranging from 2.78–2.82 Å. In the second Sn+2.17+ site, Sn+2.17+ is bonded in a distorted trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.78 Å) and one longer (2.82 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to one Na1+, two equivalent Ba2+, and three Sn+2.17+ atoms to form a mixture of edge and corner-sharing AsBa2NaSn3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second As3- site, As3- is bonded to one Na1+, two equivalent Ba2+, and three Sn+2.17+ atoms to form a mixture of edge and corner-sharing AsBa2NaSn3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.

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Materials Data on BaCu9Sn4 by Materials Project

BaCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.66 Å) and eight longer (3.67 Å) Ba–Cu bond lengths. All Ba–Sn bond lengths are 3.57 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Ba, six Cu, and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing CuBa2Cu6Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.57–2.78 Å. There are one shorter (2.64 Å) and three longer (2.71 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ba, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.61–2.97 Å. There are two shorter (2.77 Å) and two longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of face and corner-sharing CuCu8Sn4 cuboctahedra. All Cu–Sn bond lengths are 2.76 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Ba and nine Cu atoms.

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Materials Data on LiHoSn2 by Materials Project

LiHoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Ho and five Sn atoms. All Li–Ho bond lengths are 3.38 Å. There are a spread of Li–Sn bond distances ranging from 2.46–2.67 Å. Ho is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.34–3.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Ho atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Ho atoms to form a mixture of face and edge-sharing SnLi4Ho4 tetrahedra.

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Materials Data on HfCoSn by Materials Project

HfCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to six equivalent Co and five Sn atoms. There are two shorter (2.91 Å) and four longer (3.42 Å) Hf–Co bond lengths. There are four shorter (2.88 Å) and one longer (3.07 Å) Hf–Sn bond lengths. Co is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Co, and four Sn atoms. Both Co–Co bond lengths are 2.67 Å. There are two shorter (2.57 Å) and two longer (2.65 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Co atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Co atoms.

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Materials Data on LiErSn2 by Materials Project

LiErSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Er and five Sn atoms. All Li–Er bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.69 Å. Er is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.36–3.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Er atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Er atoms to form a mixture of distorted face and edge-sharing SnLi4Er4 tetrahedra.

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Materials Data on Mn2SnSbPd4 by Materials Project

Mn2Pd4SnSb is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight Pd and three equivalent Sb atoms. There are a spread of Mn–Pd bond distances ranging from 2.77–2.81 Å. All Mn–Sb bond lengths are 3.23 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to four equivalent Mn, one Sn, and three equivalent Sb atoms. The Pd–Sn bond length is 2.78 Å. All Pd–Sb bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Sn, and one Sb atom. All Pd–Sn bond lengths are 2.79 Å. The Pd–Sb bond length is 2.79 Å. In the third Pd site, Pd is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Sn, and one Sb atom. All Pd–Sn bond lengths are 2.79 Å. The Pd–Sb bond length is 2.79 Å. In the fourth Pd site, Pd is bonded in a body-centered cubic geometry to four equivalent Mn, three equivalent Sn, and one Sb atom. There are one shorter (2.77 Å) and three longer (2.79 Å) Pd–Mn bond lengths. All Pd–Sn bond lengths are 2.79 Å. The Pd–Sb bond length is 2.79 Å. Sn is bonded in a distorted body-centered cubic geometry to eight Pd atoms. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight Pd atoms.

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Materials Data on NdNi5Sn by Materials Project

NdNi5Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ni and two equivalent Sn atoms. There are six shorter (2.84 Å) and twelve longer (3.20 Å) Nd–Ni bond lengths. Both Nd–Sn bond lengths are 3.21 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to twelve Ni and six equivalent Sn atoms. There are six shorter (2.97 Å) and six longer (3.21 Å) Nd–Ni bond lengths. All Nd–Sn bond lengths are 3.32 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd and nine Ni atoms. There are six shorter (2.49 Å) and three longer (2.84 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd and nine Ni atoms. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Nd, three equivalent Ni, and four equivalent Sn atoms. All Ni–Ni bond lengths are 2.47 Å. There are one shorter (2.58 Å) and three longer (2.97 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded to three Nd, seven Ni, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing NiNd3Ni7Sn2 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. Both Ni–Sn bond lengths are 2.72 Å. Sn is bonded in a 1-coordinate geometry to four Nd and ten Ni atoms.

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Materials Data on LiDySn2 by Materials Project

LiDySn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Dy and five Sn atoms. All Li–Dy bond lengths are 3.39 Å. There are a spread of Li–Sn bond distances ranging from 2.47–2.68 Å. Dy is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.37–3.60 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Dy atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Dy atoms to form a mixture of distorted edge and face-sharing SnLi4Dy4 tetrahedra.

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