Materials Data on Pr4In21Pd10 by Materials Project
Pr4Pd10In21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are a spread of Pr–Pd bond distances ranging from 3.41–3.53 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.63 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.35–3.46 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.90 Å. In the third Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Pr–Pd bond distances ranging from 3.36–3.46 Å. There are a spread of Pr–In bond distances ranging from 3.23–3.93 Å. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to four Pd and ten In atoms. There are a spread of Pr–Pd bond distances ranging from 3.41–3.52 Å. There are a spread of Pr–In bond distances ranging from 3.22–3.61 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.71–2.88 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.90 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Pr and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.80–3.25 Å. In the fourth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.71–2.88 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Pr and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.79–3.22 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.92 Å. In the eighth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.83–2.93 Å. In the ninth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.75–2.90 Å. In the tenth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.82–2.92 Å. There are twenty-one inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to one Pr and four Pd atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the third In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to one Pr and four Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the tenth In site, In is bonded in a 1-coordinate geometry to one Pr and three Pd atoms. In the eleventh In site, In is bonded in a 5-coordinate geometry to two Pr and five Pd atoms. In the twelfth In site, In is bonded in a 3-coordinate geometry to one Pr and three Pd atoms. In the thirteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fourteenth In site, In is bonded in a 4-coordinate geometry to three Pr and four Pd atoms. In the fifteenth In site, In is bonded in a 12-coordinate geometry to four Pd atoms. In the sixteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the seventeenth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the eighteenth In site, In is bonded in a 3-coordinate geometry to one Pr and four Pd atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to three Pr and three Pd atoms. In the twentieth In site, In is bonded in a 5-coordinate geometry to two equivalent Pr and three Pd atoms. In the twenty-first In site, In is bonded in a 4-coordinate geometry to one Pr and four Pd atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1283688
- Report Number(s):
- mp-680610
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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