Materials Data on Eu5Si(Cl3O2)2 by Materials Project
Eu5Si(O2Cl3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to two O2- and seven Cl1- atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Eu–O bond lengths. There are a spread of Eu–Cl bond distances ranging from 2.94–3.36 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Eu–O bond lengths are 2.50 Å. There are a spread of Eu–Cl bond distances ranging from 2.87–3.23 Å. In the third Eu2+ site, Eu2+ is bonded in a 2-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.72 Å. There are a spread of Eu–Cl bond distances ranging from 2.94–3.29 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the second O2- site, O2- is bonded to three Eu2+ and one Si4+ atom to form distorted OEu3Si trigonal pyramids that share edges with two equivalent ClEu6 octahedra and an edgeedge with one OEu3Si trigonal pyramid. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Eu2+ atoms to form distorted ClEu6 octahedra that share corners with two equivalent ClEu6 octahedra and edges with four equivalent OEu3Si trigonal pyramids. The corner-sharing octahedral tilt angles are 25°. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Eu2+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Eu2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Eu2+ 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:
- 1281570
- Report Number(s):
- mp-669318
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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