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Materials Data on Tm(NO3)3 by Materials Project

Tm(NO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Tm(NO3)3 sheet oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tm–O bond distances ranging from 2.32–2.81 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.32 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tm3+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Tm3+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Tm3+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on TmN7O15 by Materials Project

Tm(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Tm(NO3)5 clusters. In each Tm(NO3)5 cluster, Tm3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tm–O bond distances ranging from 2.39–2.54 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom.

36 MATERIALS SCIENCE↗