Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ag-Hg-I-P”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag2Hg7(P4I3)2 by Materials Project

Ag2Hg7(P4I3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent P1- and four I1- atoms to form AgP2I4 octahedra that share corners with two equivalent AgP2I4 octahedra, corners with two equivalent HgP2I4 octahedra, and corners with four PAgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. Both Ag–P bond lengths are 2.74 Å. There are two shorter (3.03 Å) and two longer (3.12 Å) Ag–I bond lengths. There are three inequivalent Hg+1.71+ sites. In the first Hg+1.71+ site, Hg+1.71+ is bonded in a 7-coordinate geometry to two P1- and five I1- atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) Hg–P bond lengths. There are a spread of Hg–I bond distances ranging from 3.32–3.83 Å. In the second Hg+1.71+ site, Hg+1.71+ is bonded in a 7-coordinate geometry to two P1- and five I1- atoms. There are one shorter (2.49 Å) and one longer (2.50 Å) Hg–P bond lengths. There are a spread of Hg–I bond distances ranging from 3.26–3.81 Å. In the third Hg+1.71+ site, Hg+1.71+ is bonded to two equivalent P1- and four equivalent I1- atoms to form HgP2I4 octahedra that share corners with four equivalent AgP2I4 octahedra and corners with four equivalent PAgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. Both Hg–P bond lengths are 2.69 Å. All Hg–I bond lengths are 3.17 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded to one Ag1+, one Hg+1.71+, and two P1- atoms to form PAgHgP2 trigonal pyramids that share a cornercorner with one AgP2I4 octahedra, a cornercorner with one HgP2I4 octahedra, a cornercorner with one PHg3P tetrahedra, and corners with three PAgHgP2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 54–57°. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded to three Hg+1.71+ and one P1- atom to form corner-sharing PHg3P tetrahedra. The P–P bond length is 2.19 Å. In the third P1- site, P1- is bonded to two Hg+1.71+ and two equivalent P1- atoms to form distorted PHg2P2 trigonal pyramids that share corners with two equivalent AgP2I4 octahedra, a cornercorner with one PHg3P tetrahedra, and corners with three PAgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 7-coordinate geometry to one Ag1+ and six Hg+1.71+ atoms. In the second I1- site, I1- is bonded in a 7-coordinate geometry to two equivalent Ag1+ and five Hg+1.71+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag6Hg(P10I)2 by Materials Project

HgAg6P20I2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four P+0.30- and one I1- atom. There are a spread of Ag–P bond distances ranging from 2.54–3.20 Å. The Ag–I bond length is 3.03 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three P+0.30- and one I1- atom. There are a spread of Ag–P bond distances ranging from 2.54–2.69 Å. The Ag–I bond length is 3.02 Å. In the third Ag1+ site, Ag1+ is bonded to four P+0.30- atoms to form AgP4 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with seven PAg2P2 tetrahedra. There are a spread of Ag–P bond distances ranging from 2.54–2.60 Å. In the fourth Ag1+ site, Ag1+ is bonded to four P+0.30- atoms to form AgP4 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with ten PAg2P2 tetrahedra. There are a spread of Ag–P bond distances ranging from 2.55–2.60 Å. In the fifth Ag1+ site, Ag1+ is bonded to two P+0.30- and two I1- atoms to form distorted AgP2I2 tetrahedra that share corners with four PAg2P2 tetrahedra. Both Ag–P bond lengths are 2.52 Å. Both Ag–I bond lengths are 2.91 Å. In the sixth Ag1+ site, Ag1+ is bonded to four P+0.30- atoms to form AgP4 tetrahedra that share corners with two AgP4 tetrahedra and corners with seven PAg2P2 tetrahedra. There are a spread of Ag–P bond distances ranging from 2.50–2.63 Å. Hg2+ is bonded in a 4-coordinate geometry to two P+0.30- and two I1- atoms. Both Hg–P bond lengths are 2.56 Å. There are one shorter (2.88 Å) and one longer (3.05 Å) Hg–I bond lengths. There are twenty inequivalent P+0.30- sites. In the first P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form distorted PAgP3 tetrahedra that share a cornercorner with one AgP4 tetrahedra, a cornercorner with one IAg3Hg tetrahedra, and corners with four PAgP3 tetrahedra. There are a spread of P–P bond distances ranging from 2.20–2.25 Å. In the second P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form distorted PAgP3 tetrahedra that share a cornercorner with one AgP4 tetrahedra, a cornercorner with one IAg3Hg tetrahedra, and corners with four PAgP3 tetrahedra. There are a spread of P–P bond distances ranging from 2.20–2.25 Å. In the third P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form PAgP3 tetrahedra that share corners with two equivalent AgP4 tetrahedra and corners with seven PAg2P2 tetrahedra. There are one shorter (2.20 Å) and two longer (2.22 Å) P–P bond lengths. In the fourth P+0.30- site, P+0.30- is bonded in a trigonal non-coplanar geometry to three P+0.30- atoms. There are a spread of P–P bond distances ranging from 2.21–2.23 Å. In the fifth P+0.30- site, P+0.30- is bonded to one Ag1+, one Hg2+, and two P+0.30- atoms to form PAgHgP2 tetrahedra that share corners with two AgP4 tetrahedra, corners with two equivalent IAg3Hg tetrahedra, and corners with five PAgP3 tetrahedra. The P–P bond length is 2.22 Å. In the sixth P+0.30- site, P+0.30- is bonded to one Ag1+, one Hg2+, and two P+0.30- atoms to form PAgHgP2 tetrahedra that share corners with two AgP4 tetrahedra, corners with two equivalent IAg3Hg tetrahedra, and corners with six PAg2P2 tetrahedra. The P–P bond length is 2.22 Å. In the seventh P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form PAgP3 tetrahedra that share corners with three AgP4 tetrahedra and corners with seven PAgP3 tetrahedra. There are a spread of P–P bond distances ranging from 2.18–2.28 Å. In the eighth P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form PAgP3 tetrahedra that share corners with four AgP4 tetrahedra and corners with five PAg2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.22 Å) P–P bond lengths. In the ninth P+0.30- site, P+0.30- is bonded to two Ag1+ and two P+0.30- atoms to form distorted PAg2P2 tetrahedra that share a cornercorner with one AgP2I2 tetrahedra, a cornercorner with one IAg3Hg tetrahedra, and corners with eight PAgP3 tetrahedra. In the tenth P+0.30- site, P+0.30- is bonded to two Ag1+ and two P+0.30- atoms to form distorted PAg2P2 tetrahedra that share a cornercorner with one IAg3Hg tetrahedra, corners with two AgP2I2 tetrahedra, and corners with seven PAgP3 tetrahedra. In the eleventh P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form corner-sharing PAgP3 tetrahedra. The P–P bond length is 2.29 Å. In the twelfth P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form distorted PAgP3 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with six PAg2P2 tetrahedra. The P–P bond length is 2.28 Å. In the thirteenth P+0.30- site, P+0.30- is bonded in a distorted rectangular see-saw-like geometry to one Ag1+ and three P+0.30- atoms. There are one shorter (2.25 Å) and one longer (2.28 Å) P–P bond lengths. In the fourteenth P+0.30- site, P+0.30- is bonded in a distorted trigonal non-coplanar geometry to three P+0.30- atoms. There are one shorter (2.25 Å) and one longer (2.26 Å) P–P bond lengths. In the fifteenth P+0.30- site, P+0.30- is bonded to two Ag1+ and two P+0.30- atoms to form distorted PAg2P2 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with nine PAgP3 tetrahedra. The P–P bond length is 2.18 Å. In the sixteenth P+0.30- site, P+0.30- is bonded to two Ag1+ and two P+0.30- atoms to form distorted PAg2P2 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with eight PAg2P2 tetrahedra. The P–P bond length is 2.20 Å. In the seventeenth P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form PAgP3 tetrahedra that share a cornercorner with one AgP4 tetrahedra and corners with nine PAgP3 tetrahedra. In the eighteenth P+0.30- site, P+0.30- is bonded in a trigonal non-coplanar geometry to three P+0.30- atoms. In the nineteenth P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form distorted PAgP3 tetrahedra that share a cornercorner with one IAg3Hg tetrahedra, corners with three AgP4 tetrahedra, and corners with six PAgP3 tetrahedra. In the twentieth P+0.30- site, P+0.30- is bonded to one Ag1+ and three P+0.30- atoms to form PAgP3 tetrahedra that share a cornercorner with one IAg3Hg tetrahedra, corners with three AgP4 tetrahedra, and corners with six PAg2P2 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to one Ag1+ and one Hg2+ atom. In the second I1- site, I1- is bonded to three Ag1+ and one Hg2+ atom to form distorted IAg3Hg tetrahedra that share corners with ten PAg2P2 tetrahedra.

36 MATERIALS SCIENCE↗