Materials Data on LaBN2 by Materials Project
LaBN2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.54–3.00 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.40–2.88 Å. In the third La3+ site, La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.46–2.67 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.45–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three La3+ and two B3+ atoms. In the second N3- site, N3- is bonded in a distorted water-like geometry to four La3+ and two B3+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one B3+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to five La3+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one B3+ atom. In the sixth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to three La3+ and two B3+ atoms.