Materials Data on Sr4Bi2O by Materials Project
Sr4Bi2O is (La,Ba)CuO4 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 6-coordinate geometry to five equivalent Bi and one O atom. There are one shorter (3.44 Å) and four longer (3.62 Å) Sr–Bi bond lengths. The Sr–O bond length is 2.96 Å. In the second Sr site, Sr is bonded in a linear geometry to four equivalent Bi and two equivalent O atoms. All Sr–Bi bond lengths are 3.53 Å. Both Sr–O bond lengths are 2.53 Å. Bi is bonded in a 9-coordinate geometry to nine Sr atoms. O is bonded to six Sr atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1355513
- Report Number(s):
- mp-1025351
- Country of Publication:
- United States
- Language:
- English
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