Materials Data on TmCO4 by Materials Project

TmCO4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Tm is bonded to eight O atoms to form a mixture of distorted corner and edge-sharing TmO8 hexagonal bipyramids. There are a spread of Tm–O bond distances ranging from 2.20–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Tm and one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Tm atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Tm and one C atom.