Materials Data on Y2Hg2O5 by Materials Project
Y2Hg2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form distorted edge-sharing YO6 pentagonal pyramids. There are a spread of Y–O bond distances ranging from 2.22–2.56 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form distorted edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.15–2.51 Å. In the third Y3+ site, Y3+ is bonded to six O2- atoms to form distorted edge-sharing YO6 pentagonal pyramids. There are a spread of Y–O bond distances ranging from 2.22–2.56 Å. In the fourth Y3+ site, Y3+ is bonded to six O2- atoms to form distorted edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.15–2.51 Å. There are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.50 Å. In the second Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.05–2.61 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.05–2.59 Å. In the fourth Hg2+ site, Hg2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.50 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Hg2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Hg2+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OY3Hg trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+ and two Hg2+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+ and two Hg2+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Hg2+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Hg2+ atom. In the eighth O2- site, O2- is bonded to three Y3+ and one Hg2+ atom to form a mixture of edge and corner-sharing OY3Hg trigonal pyramids. In the ninth O2- site, O2- is bonded to three Y3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OY3Hg trigonal pyramids. In the tenth O2- site, O2- is bonded to three Y3+ and one Hg2+ atom to form a mixture of edge and corner-sharing OY3Hg trigonal pyramids.
- 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:
- 1290038
- Report Number(s):
- mp-755511
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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