Materials Data on NaTm(Pd3O4)2 by Materials Project
NaTm(Pd3O4)2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.63 Å. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Tm–O bond lengths are 2.40 Å. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. All Pd–O bond lengths are 2.06 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, one Tm3+, and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing ONaTmPd3 trigonal bipyramids. In the second O2- site, O2- is bonded to one Na1+, one Tm3+, and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing ONaTmPd3 trigonal bipyramids. All O–Pd bond lengths are 2.06 Å. In the third O2- site, O2- is bonded to one Na1+, one Tm3+, and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing ONaTmPd3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to one Na1+, one Tm3+, and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing ONaTmPd3 trigonal bipyramids. In the fifth O2- site, O2- is bonded to one Na1+, one Tm3+, and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing ONaTmPd3 trigonal bipyramids.
- 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:
- 1732457
- Report Number(s):
- mp-1209959
- Country of Publication:
- United States
- Language:
- English
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