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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrSi6 by Materials Project

SrSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eighteen Si atoms. There are a spread of Sr–Si bond distances ranging from 3.17–3.55 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.45 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three equivalent Sr and four Si atoms. Both Si–Si bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Si by Materials Project

Sr2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- atoms. There are one shorter (3.26 Å) and two longer (3.46 Å) Sr–Si bond lengths. In the second Sr2+ site, Sr2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing SrSi4 tetrahedra. There are a spread of Sr–Si bond distances ranging from 3.18–3.25 Å. Si4- is bonded in a 7-coordinate geometry to seven Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Si by Materials Project

Sr2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Sr–Si bond lengths are 3.13 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing SrSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sr–Si bond lengths are 3.65 Å. Si4- is bonded in a distorted trigonal planar geometry to nine Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi by Materials Project

SrSi is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Sr–Si bond distances ranging from 3.26–3.40 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi2 by Materials Project

SrSi2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent Si atoms. There are six shorter (3.27 Å) and two longer (3.38 Å) Sr–Si bond lengths. Si is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi2 by Materials Project

SrSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded to twelve Si atoms to form a mixture of face and edge-sharing SrSi12 cuboctahedra. There are four shorter (3.20 Å) and eight longer (3.36 Å) Sr–Si bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Si atoms. There are one shorter (2.33 Å) and two longer (2.50 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are one shorter (2.33 Å) and two longer (2.50 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are two shorter (3.20 Å) and four longer (3.36 Å) Si–Sr bond lengths. Both Si–Si bond lengths are 2.50 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three Si atoms. There are two shorter (3.20 Å) and four longer (3.36 Å) Si–Sr bond lengths. The Si–Si bond length is 2.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi by Materials Project

SrSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Si atoms. There are a spread of Sr–Si bond distances ranging from 3.27–3.37 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi2 by Materials Project

SrSi2 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent Si atoms. There are six shorter (3.27 Å) and two longer (3.39 Å) Sr–Si bond lengths. Si is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi by Materials Project

SrSi is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Sr–Si bond lengths are 3.29 Å. Si is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSi by Materials Project

SrSi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Sr–Si bond distances ranging from 3.25–3.33 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight Si atoms. There are four shorter (3.23 Å) and four longer (3.37 Å) Sr–Si bond lengths. In the third Sr site, Sr is bonded to twelve Si atoms to form distorted SrSi12 cuboctahedra that share corners with four equivalent SrSi5 square pyramids and faces with two equivalent SrSi12 cuboctahedra. There are eight shorter (3.37 Å) and four longer (3.53 Å) Sr–Si bond lengths. In the fourth Sr site, Sr is bonded to five Si atoms to form distorted SrSi5 square pyramids that share corners with two equivalent SrSi12 cuboctahedra and edges with two equivalent SrSi5 square pyramids. There are one shorter (3.41 Å) and four longer (3.43 Å) Sr–Si bond lengths. In the fifth Sr site, Sr is bonded in a square co-planar geometry to four equivalent Si atoms. All Sr–Si bond lengths are 3.29 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sr and one Si atom. The Si–Si bond length is 2.40 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Sr and three Si atoms. There are one shorter (2.42 Å) and one longer (2.46 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Sr and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5Si3 by Materials Project

Sr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five Si atoms to form a mixture of distorted edge, face, and corner-sharing SrSi5 trigonal bipyramids. There are a spread of Sr–Si bond distances ranging from 3.28–3.43 Å. In the second Sr site, Sr is bonded in a square co-planar geometry to four equivalent Si atoms. All Sr–Si bond lengths are 3.29 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sr and one Si atom. The Si–Si bond length is 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.

36 MATERIALS SCIENCE↗