Materials Data on Tm2Mg2O5 by Materials Project
Mg2Tm2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with five equivalent MgO5 square pyramids and faces with four equivalent TmO12 cuboctahedra. There is one shorter (1.88 Å) and four longer (1.94 Å) Mg–O bond length. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tm–O bond lengths are 2.38 Å. In the second Tm3+ site, Tm3+ is bonded to twelve O2- atoms to form TmO12 cuboctahedra that share corners with four equivalent TmO12 cuboctahedra, faces with four equivalent TmO12 cuboctahedra, and faces with eight equivalent MgO5 square pyramids. There are four shorter (2.72 Å) and eight longer (2.90 Å) Tm–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and four Tm3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Tm3+ 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:
- 1313588
- Report Number(s):
- mp-971707
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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