Materials Data on SrLaMnO4 by Materials Project
LaSrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.79 Å. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.81 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 1.95–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent La3+, and one Mn3+ atom to form distorted OSr2La3Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent La3+, and one Mn3+ atom to form distorted OSr3La2Mn octahedra that share corners with seventeen OSr2La2Mn2 octahedra, edges with eight OSr2La3Mn octahedra, and faces with four equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 2–55°.
- 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:
- 1728781
- Report Number(s):
- mp-1218183
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on SrLaMnO4 by Materials Project
Materials Data on SrLa2Mn2O7 by Materials Project
Materials Data on Sr3LaMnCrO8 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1679871
Materials Data on SrLa2Mn2O7 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1691157
Materials Data on Sr3LaMnCrO8 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1752576