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Materials Data on Hg2SbF6 by Materials Project

Hg2SbF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.89 Å) and two longer (2.95 Å) Hg–F bond lengths. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.86 Å) and two longer (2.94 Å) Hg–F bond lengths. Sb3+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Hg+1.50+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. Both F–Hg bond lengths are 2.94 Å. The F–Sb bond length is 1.92 Å. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg+1.50+ and one Sb3+ atom. Both F–Hg bond lengths are 2.89 Å. The F–Sb bond length is 1.92 Å.

36 MATERIALS SCIENCE↗

Materials Data on HgSb2F13 by Materials Project

HgSb2F13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Hg–F bond distances ranging from 2.40–2.50 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.96 Å. In the second Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.96 Å. There are thirteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Hg atom. In the fifth F site, F is bonded in a bent 120 degrees geometry to one Hg and one Sb atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the seventh F site, F is bonded in a distorted bent 120 degrees geometry to one Hg and one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a bent 150 degrees geometry to one Hg and one Sb atom.

36 MATERIALS SCIENCE↗