Materials Data on Ca3Al2(SiO4)3 by Materials Project
Ca3Al2Si3O12 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.52 Å) Ca–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.94 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Al3+, and one Si4+ atom.
- 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:
- 1277308
- Report Number(s):
- mp-6008
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Al2Cd3(SiO4)3 by Materials Project
Materials Data on Al2Cr3(SiO4)3 by Materials Project
Materials Data on Ca3Mg9Al8(SiO4)12 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1189905
Materials Data on Al2Cr3(SiO4)3 by Materials Project
Dataset
·
Mon Aug 03 00:00:00 EDT 2020
·
OSTI ID:1320949
Materials Data on Ca3Mg9Al8(SiO4)12 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1759768