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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Sr and twelve Mg atoms. There are three shorter (3.93 Å) and one longer (4.00 Å) Sr–Sr bond lengths. There are a spread of Sr–Mg bond distances ranging from 3.75–3.83 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Sr and six equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgSr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. In the second Mg site, Mg is bonded to six equivalent Sr and six Mg atoms to form a mixture of corner, edge, and face-sharing MgSr6Mg6 cuboctahedra. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted corner and face-sharing SrSr4Mg8 cuboctahedra. There are two shorter (3.76 Å) and two longer (3.77 Å) Sr–Sr bond lengths. There are a spread of Sr–Mg bond distances ranging from 3.53–4.03 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to six equivalent Sr and four equivalent Mg atoms. There are two shorter (3.15 Å) and two longer (3.42 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Sr and eight Mg atoms. All Mg–Mg bond lengths are 3.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Sr sheet oriented in the (0, 0, 1) direction. Sr is bonded in a 12-coordinate geometry to three equivalent Mg atoms. All Sr–Mg bond lengths are 3.59 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg atoms to form distorted MgMg6 pentagonal pyramids that share corners with six equivalent MgSr3Mg3 pentagonal pyramids, edges with six equivalent MgMg6 pentagonal pyramids, and a faceface with one MgSr3Mg3 pentagonal pyramid. There are three shorter (3.04 Å) and three longer (3.10 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Sr and three equivalent Mg atoms to form distorted MgSr3Mg3 pentagonal pyramids that share corners with six equivalent MgMg6 pentagonal pyramids, edges with six equivalent MgSr3Mg3 pentagonal pyramids, and a faceface with one MgMg6 pentagonal pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to five equivalent Sr and eight Mg atoms. There are a spread of Sr–Sr bond distances ranging from 3.58–4.20 Å. There are a spread of Sr–Mg bond distances ranging from 3.58–3.78 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and six Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.19–3.33 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to five equivalent Sr and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.57–3.72 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to five equivalent Sr and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.16 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded to two equivalent Sr and ten equivalent Mg atoms to form a mixture of distorted edge and face-sharing SrSr2Mg10 cuboctahedra. Both Sr–Sr bond lengths are 3.67 Å. There are a spread of Sr–Mg bond distances ranging from 3.44–3.75 Å. Mg is bonded in a 5-coordinate geometry to five equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.72 Å. All Sr–Mg bond lengths are 3.67 Å. Mg is bonded in a 6-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to eight Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.56–3.59 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to eight Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.48–3.62 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Sr and six Mg atoms. There are two shorter (3.16 Å) and four longer (3.42 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Sr atoms. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four Sr and six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sr is bonded to three equivalent Sr and nine Mg atoms to form distorted SrSr3Mg9 cuboctahedra that share corners with nine equivalent SrSr3Mg9 cuboctahedra, corners with nine equivalent MgSr6Mg6 cuboctahedra, edges with six equivalent SrSr3Mg9 cuboctahedra, faces with three equivalent MgSr6Mg6 cuboctahedra, and faces with five equivalent SrSr3Mg9 cuboctahedra. All Sr–Sr bond lengths are 3.66 Å. There are six shorter (3.61 Å) and three longer (3.66 Å) Sr–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Sr and four Mg atoms. There are two shorter (3.16 Å) and two longer (3.35 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to six equivalent Sr and six equivalent Mg atoms to form MgSr6Mg6 cuboctahedra that share corners with eighteen equivalent SrSr3Mg9 cuboctahedra, edges with six equivalent MgSr6Mg6 cuboctahedra, faces with two equivalent MgSr6Mg6 cuboctahedra, and faces with six equivalent SrSr3Mg9 cuboctahedra.

36 MATERIALS SCIENCE↗