Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MgSn3”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgSn3 by Materials Project

MgSn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Sn atoms to form MgSn12 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg4Sn8 cuboctahedra, edges with eighteen equivalent SnMg4Sn8 cuboctahedra, faces with eight equivalent MgSn12 cuboctahedra, and faces with twelve equivalent SnMg4Sn8 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.36 Å) Mg–Sn bond lengths. Sn is bonded to four equivalent Mg and eight equivalent Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with four equivalent MgSn12 cuboctahedra, corners with fourteen equivalent SnMg4Sn8 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, edges with twelve equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with sixteen equivalent SnMg4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.27–3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn3 by Materials Project

MgSn3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Sn atoms to form distorted MgSn6 cuboctahedra that share corners with twelve equivalent SnSn12 cuboctahedra, edges with six equivalent MgSn6 cuboctahedra, and faces with two equivalent SnSn12 cuboctahedra. All Mg–Sn bond lengths are 3.19 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to twelve Sn atoms to form SnSn12 cuboctahedra that share corners with six equivalent SnSn12 cuboctahedra, corners with twelve equivalent MgSn6 cuboctahedra, edges with six equivalent SnSn12 cuboctahedra, faces with two equivalent MgSn6 cuboctahedra, and faces with six equivalent SnSn12 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.48 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn3 by Materials Project

MgSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Sn atoms to form MgSn12 cuboctahedra that share corners with twelve equivalent MgSn12 cuboctahedra, edges with twenty-four equivalent SnMg4Sn8 cuboctahedra, faces with six equivalent MgSn12 cuboctahedra, and faces with twelve equivalent SnMg4Sn8 cuboctahedra. All Mg–Sn bond lengths are 3.34 Å. Sn is bonded to four equivalent Mg and eight equivalent Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with twelve equivalent SnMg4Sn8 cuboctahedra, edges with eight equivalent MgSn12 cuboctahedra, edges with sixteen equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with fourteen equivalent SnMg4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn3 by Materials Project

MgSn3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.20–3.39 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and six equivalent Sn atoms. There are two shorter (3.30 Å) and four longer (3.46 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Sn atoms. There are four shorter (3.21 Å) and two longer (3.38 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn3 by Materials Project

MgSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Sn atoms to form MgSn12 cuboctahedra that share corners with four equivalent MgSn12 cuboctahedra, edges with eight equivalent MgSn12 cuboctahedra, edges with sixteen equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with eight equivalent SnMg4Sn8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.38 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Mg and eight equivalent Sn atoms. All Sn–Sn bond lengths are 3.38 Å. In the second Sn site, Sn is bonded to four equivalent Mg and eight Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with twelve equivalent SnMg4Sn8 cuboctahedra, edges with eight equivalent MgSn12 cuboctahedra, edges with eight equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with ten equivalent SnMg4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to three Sn atoms to form distorted MgSn3 cuboctahedra that share corners with seventeen MgSn3 cuboctahedra and edges with two MgSn5 cuboctahedra. There are one shorter (3.18 Å) and two longer (3.20 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded to five Sn atoms to form distorted MgSn5 cuboctahedra that share corners with eighteen MgSn3 cuboctahedra, edges with seven MgSn3 cuboctahedra, and a faceface with one MgSn4 cuboctahedra. There are three shorter (3.21 Å) and two longer (3.23 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded to four Sn atoms to form distorted MgSn4 cuboctahedra that share corners with nineteen MgSn3 cuboctahedra, edges with three MgSn5 cuboctahedra, and a faceface with one MgSn5 cuboctahedra. There are a spread of Mg–Sn bond distances ranging from 3.17–3.23 Å. In the fourth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 cuboctahedra. There are two shorter (3.20 Å) and two longer (3.22 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Mg atoms to form a mixture of distorted edge, corner, and face-sharing SnMg8 cuboctahedra. In the second Sn site, Sn is bonded to eight Mg atoms to form a mixture of distorted edge, corner, and face-sharing SnMg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn by Materials Project

MgSn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MgSn sheets oriented in the (0, 0, 1) direction. In one of the MgSn sheets, there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Sn atoms to form distorted MgSn3 cuboctahedra that share corners with twelve MgSn3 cuboctahedra and a faceface with one MgSn6 cuboctahedra. All Mg–Sn bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to six Sn atoms to form distorted MgSn6 cuboctahedra that share corners with six equivalent MgSn3 cuboctahedra, edges with six equivalent MgSn6 cuboctahedra, and a faceface with one MgSn3 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.19 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In one of the MgSn sheets, Mg is bonded to three equivalent Sn atoms to form distorted corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.19 Å. Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg4P6SN12 by Materials Project

Mg4P6N12S crystallizes in the cubic I-43m space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent N3- and one S2- atom to form MgSN3 tetrahedra that share corners with three equivalent MgSN3 tetrahedra and corners with six equivalent PN4 tetrahedra. All Mg–N bond lengths are 2.08 Å. The Mg–S bond length is 2.47 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent MgSN3 tetrahedra and corners with four equivalent PN4 tetrahedra. All P–N bond lengths are 1.64 Å. N3- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent P5+ atoms. S2- is bonded in a tetrahedral geometry to four equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn by Materials Project

MgSn crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two MgSn sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sn atoms to form distorted corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.17 Å. Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Sn sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sn atoms to form a mixture of distorted face and corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗