Materials Data on Rb15W7N19 by Materials Project

Abstract

Rb15W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are sixteen inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.85–3.19 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.91–3.41 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.89–3.34 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.79–3.50 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.82–3.12 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.47 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.92–3.16 Å. In the eighth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.82–3.18 Å. In the ninth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.57 Å. In the tenth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.01–3.36 Å. In the eleventh Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.78–3.18 Å. In the twelfth Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.55 Å. In the thirteenth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.81–3.30 Å. In the fourteenth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.72–3.43 Å. In the fifteenth Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six N3- atoms. There are two shorter (3.04 Å) and four longer (3.26 Å) Rb–N bond lengths. In the sixteenth Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.08–3.29 Å. There are seven inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.94 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.95 Å. In the third W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.95 Å. In the fourth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the fifth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.79–1.94 Å. In the sixth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the seventh W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.83–1.98 Å. There are nineteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to three Rb1+ and two W6+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three Rb1+ and two W6+ atoms. In the fifth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the sixth N3- site, N3- is bonded to four Rb1+ and one W6+ atom to form distorted edge-sharing NRb4W trigonal bipyramids. In the seventh N3- site, N3- is bonded in a 1-coordinate geometry to six Rb1+ and one W6+ atom. In the eighth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the ninth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the tenth N3- site, N3- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the eleventh N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two W6+ atoms. In the twelfth N3- site, N3- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom. In the thirteenth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the sixteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two W6+ atoms. In the seventeenth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. In the eighteenth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the nineteenth N3- site, N3- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom.