Materials Data on Mg7Sc by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1749462· OSTI ID:1749462

Mg7Sc is alpha La-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are twenty-five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent MgMg12 cuboctahedra, edges with twenty-four MgMg10Sc2 cuboctahedra, faces with six equivalent ScMg12 cuboctahedra, and faces with twelve MgMg10Sc2 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the sixth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the seventh Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eighth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the ninth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the tenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eleventh Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twelfth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the thirteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fourteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the fifteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the sixteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the seventeenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the eighteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the nineteenth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twentieth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-first Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-second Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. In the twenty-fifth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with twelve MgMg10Sc2 cuboctahedra, edges with four equivalent ScMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent ScMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.20 Å. Both Mg–Sc bond lengths are 3.20 Å. Sc is bonded to twelve Mg atoms to form ScMg12 cuboctahedra that share corners with twelve equivalent ScMg12 cuboctahedra, edges with twenty-four MgMg10Sc2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1749462
• Report Number(s): mp-1079116
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Sc
Mg7Sc
crystal structure