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At least 433 records · Page 24
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DOE OSTI2020

Materials Data on Sr(YS2)2 by Materials Project

SrY2S4 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 3.10–3.34 Å. There are two inequivalent Y3+ sites. In the first 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 48–64°. There are a spread of Y–S bond distances ranging from 2.73–2.78 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 48–64°. There are a spread of Y–S bond distances ranging from 2.69–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SSr2Y3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Y3+ atoms. In the third S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Y3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Y3+ atoms.

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Materials Data on Sr(BiO2)2 by Materials Project

SrBi2O4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two SrBi2O4 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded to seven O2- atoms to form distorted edge-sharing SrO7 hexagonal pyramids. There are a spread of Sr–O bond distances ranging from 2.52–2.87 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.30 Å. In the second Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.05–2.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three Bi3+ atoms to form distorted OSrBi3 trigonal pyramids that share corners with three OSr3Bi tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three equivalent Sr2+ and one Bi3+ atom to form distorted OSr3Bi tetrahedra that share corners with nine OSr3Bi tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, edges with three OSr3Bi tetrahedra, and an edgeedge with one OSrBi3 trigonal pyramid. In the third O2- site, O2- is bonded to three equivalent Sr2+ and one Bi3+ atom to form distorted OSr3Bi tetrahedra that share corners with nine OSr3Bi tetrahedra, a cornercorner with one OSrBi3 trigonal pyramid, edges with three OSr3Bi tetrahedra, and edges with two equivalent OSrBi3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms.

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DOE OSTI2020

Materials Data on Sr(YS2)2 by Materials Project

SrY2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.91 Å) and four longer (3.13 Å) Sr–S bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Y–S bond distances ranging from 2.75–3.16 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Y3+ atoms.

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DOE OSTI2020

Materials Data on Sr(NdS2)2 by Materials Project

SrNd2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded to eight equivalent S2- atoms to form distorted SrS8 hexagonal bipyramids that share corners with eight equivalent NdS8 hexagonal bipyramids, edges with four equivalent SrS8 hexagonal bipyramids, and faces with eight equivalent NdS8 hexagonal bipyramids. There are four shorter (2.97 Å) and four longer (3.15 Å) Sr–S bond lengths. Nd3+ is bonded to eight equivalent S2- atoms to form distorted NdS8 hexagonal bipyramids that share corners with four equivalent SrS8 hexagonal bipyramids, corners with four equivalent NdS8 hexagonal bipyramids, edges with four equivalent NdS8 hexagonal bipyramids, faces with four equivalent SrS8 hexagonal bipyramids, and faces with four equivalent NdS8 hexagonal bipyramids. There are a spread of Nd–S bond distances ranging from 2.87–3.11 Å. S2- is bonded to two equivalent Sr2+ and four equivalent Nd3+ atoms to form a mixture of distorted edge, corner, and face-sharing SSr2Nd4 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.

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Materials Data on Sr(PRu)2 by Materials Project

SrRu2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Sr–P bond lengths are 3.33 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetrahedra. All Ru–P bond lengths are 2.33 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ru2+ atoms.

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DOE OSTI2020

Materials Data on Sr(NiAs)2 by Materials Project

SrNi2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.28 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.38 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and four equivalent Ni2+ atoms.

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Materials Data on Sr(MnAs)2 by Materials Project

SrMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Sr–As bond lengths are 3.14 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–49°. There are one shorter (2.43 Å) and three longer (2.48 Å) Mn–As bond lengths. As3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mn2+ atoms.

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Materials Data on Sr(AsRu)2 by Materials Project

SrRu2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.39 Å. Ru2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.44 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ru2+ atoms.

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Materials Data on Sr(FeAs)2 by Materials Project

SrFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.29 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.32 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Fe2+ atoms.

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Materials Data on Sr(CuAs)2 by Materials Project

SrCu2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.30 Å. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.49 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Cu2+, and one As3- atom. The As–As bond length is 2.76 Å.

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Materials Data on Sr(CuSb)2 by Materials Project

SrCu2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.43 Å) and four longer (3.67 Å) Sr–Sb bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.57 Å) and four longer (2.72 Å) Cu–Sb bond lengths. In the second Cu2+ site, Cu2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five Cu2+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Sr2+ and four equivalent Cu2+ atoms to form a mixture of distorted face and edge-sharing SbSr4Cu4 tetrahedra.

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DOE OSTI2020

Materials Data on Sr(MnP)2 by Materials Project

SrMn2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent P3- atoms to form distorted SrP6 octahedra that share corners with twelve equivalent MnP4 tetrahedra, edges with six equivalent SrP6 octahedra, and edges with six equivalent MnP4 tetrahedra. All Sr–P bond lengths are 3.06 Å. Mn2+ is bonded to four equivalent P3- atoms to form MnP4 tetrahedra that share corners with six equivalent SrP6 octahedra, corners with six equivalent MnP4 tetrahedra, edges with three equivalent SrP6 octahedra, and edges with three equivalent MnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are one shorter (2.27 Å) and three longer (2.32 Å) Mn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mn2+ atoms.

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Materials Data on Sr(CoP)2 by Materials Project

SrCo2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Sr–P bond lengths are 3.20 Å. Co2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Co2+ atoms.

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Materials Data on Sr(NiSb)2 by Materials Project

SrNi2Sb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Sr–Sb bond lengths are 3.51 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.53 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, four equivalent Ni2+, and one Sb3- atom. The Sb–Sb bond length is 3.06 Å.

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Materials Data on Sr(Li2P)2 by Materials Project

Li4SrP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.49 Å. In the second Li1+ site, Li1+ is bonded to four equivalent P3- atoms to form distorted LiP4 tetrahedra that share corners with nine equivalent SrP6 octahedra, corners with six equivalent LiP4 tetrahedra, edges with three equivalent LiP4 tetrahedra, and a faceface with one SrP6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are one shorter (2.55 Å) and three longer (2.75 Å) Li–P bond lengths. Sr2+ is bonded to six equivalent P3- atoms to form SrP6 octahedra that share corners with eighteen equivalent LiP4 tetrahedra, edges with six equivalent SrP6 octahedra, and faces with two equivalent LiP4 tetrahedra. All Sr–P bond lengths are 3.22 Å. P3- is bonded in a 4-coordinate geometry to seven Li1+ and three equivalent Sr2+ atoms.

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DOE OSTI2020

Materials Data on Sr(AsPt)2 by Materials Project

SrPt2As2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sr–Pt bond distances ranging from 3.20–3.58 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 11-coordinate geometry to four equivalent Sr2+, three equivalent Pt2-, and four equivalent As1+ atoms. There are two shorter (2.99 Å) and one longer (3.01 Å) Pt–Pt bond lengths. There are a spread of Pt–As bond distances ranging from 2.52–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and five As1+ atoms. There are a spread of Pt–As bond distances ranging from 2.54–2.58 Å. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of corner and edge-sharing AsPt4 tetrahedra. In the second As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

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Materials Data on Sr(AlSi)2 by Materials Project

Al2Si2Sr crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Si4- atoms to form SrSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent SrSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Sr–Si bond lengths are 3.18 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent SrSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent SrSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–50°. There are three shorter (2.54 Å) and one longer (2.60 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Sr2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiSr3Al4 pentagonal bipyramids.

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Materials Data on Sr(SiAu)2 by Materials Project

SrAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Sr–Au bond lengths are 3.39 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and four equivalent Si atoms. All Au–Si bond lengths are 2.61 Å. Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.38 Å.

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