Materials Data on Pm3Nd by Materials Project
Pm3Nd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Nd atoms to form PmPm8Nd4 cuboctahedra that share corners with twelve equivalent PmPm8Nd4 cuboctahedra, edges with eight equivalent NdPm12 cuboctahedra, edges with sixteen PmPm8Nd4 cuboctahedra, faces with four equivalent NdPm12 cuboctahedra, and faces with fourteen PmPm8Nd4 cuboctahedra. There are four shorter (3.66 Å) and four longer (3.67 Å) Pm–Pm bond lengths. All Pm–Nd bond lengths are 3.67 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Nd atoms to form PmPm8Nd4 cuboctahedra that share corners with four equivalent PmPm8Nd4 cuboctahedra, corners with eight equivalent NdPm12 cuboctahedra, edges with twenty-four PmPm8Nd4 cuboctahedra, faces with six equivalent NdPm12 cuboctahedra, and faces with twelve PmPm8Nd4 cuboctahedra. All Pm–Nd bond lengths are 3.66 Å. Nd is bonded to twelve Pm atoms to form NdPm12 cuboctahedra that share corners with four equivalent NdPm12 cuboctahedra, corners with eight equivalent PmPm8Nd4 cuboctahedra, edges with eight equivalent NdPm12 cuboctahedra, edges with sixteen equivalent PmPm8Nd4 cuboctahedra, faces with four equivalent NdPm12 cuboctahedra, and faces with fourteen PmPm8Nd4 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:
- 1709504
- Report Number(s):
- mp-1186523
- Country of Publication:
- United States
- Language:
- English
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