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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. In the second Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.33 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.33 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.94 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.94 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to six Sr and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.33 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.33 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to six Sr and eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sr is bonded to two equivalent Sr and ten Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr2Mg10 cuboctahedra. Both Sr–Sr bond lengths are 3.63 Å. There are a spread of Sr–Mg bond distances ranging from 3.42–3.54 Å. 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 equivalent Mg atoms. All Mg–Mg bond lengths are 3.38 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and two equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form a mixture of edge, face, and corner-sharing SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.57 Å. All Sr–Mg bond lengths are 3.62 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Mg atoms. All Mg–Mg bond lengths are 3.24 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing SrMg12 cuboctahedra. There are six shorter (3.48 Å) and six longer (3.60 Å) Sr–Mg bond lengths. Mg is bonded in a 10-coordinate geometry to four equivalent Sr and six equivalent Mg atoms. There are four shorter (3.28 Å) and two longer (3.31 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg3 by Materials Project

SrMg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing SrMg12 cuboctahedra. All Sr–Mg bond lengths are 3.49 Å. Mg is bonded in a distorted square co-planar geometry to four equivalent Sr atoms.

36 MATERIALS SCIENCE↗