Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cl-Co-N”

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.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoN5Cl3 by Materials Project

CoN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four CoN5Cl3 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded in a distorted tetrahedral geometry to four N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.62–1.89 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.71 Å. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.45 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two N+0.20+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoN5Cl3 by Materials Project

CoN5Cl3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CoN5Cl3 clusters. Co2+ is bonded in a distorted bent 120 degrees geometry to five N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.58–1.95 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.42 Å. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the third N+0.20+ site, N+0.20+ is bonded in a water-like geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.68 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.20+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two N+0.20+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(N2Cl)3 by Materials Project

Co(N2Cl)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N atoms to form CoN6 octahedra that share corners with six equivalent ClN6 octahedra and faces with eight equivalent ClN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–N bond lengths are 1.79 Å. N is bonded in a distorted single-bond geometry to one Co3+ and five Cl1- atoms. There are one shorter (2.24 Å) and four longer (2.86 Å) N–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to twelve equivalent N atoms to form ClN12 cuboctahedra that share corners with twelve equivalent ClN12 cuboctahedra, faces with six equivalent ClN12 cuboctahedra, faces with four equivalent CoN6 octahedra, and faces with four equivalent ClN6 octahedra. In the second Cl1- site, Cl1- is bonded to six equivalent N atoms to form ClN6 octahedra that share corners with six equivalent CoN6 octahedra and faces with eight equivalent ClN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(N4Cl)2 by Materials Project

CoN3ClN5Cl crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four N5Cl clusters and two CoN3Cl ribbons oriented in the (0, 1, 0) direction. In each N5Cl cluster, there are five inequivalent N sites. In the first N site, N is bonded in a water-like geometry to one N and one Cl1- atom. The N–N bond length is 1.25 Å. The N–Cl bond length is 1.74 Å. In the second N site, N is bonded in a water-like geometry to two N atoms. There is one shorter (1.25 Å) and one longer (1.39 Å) N–N bond length. In the third N site, N is bonded in a linear geometry to two N atoms. The N–N bond length is 1.14 Å. In the fourth N site, N is bonded in a single-bond geometry to one N atom. In the fifth N site, N is bonded in a water-like geometry to two N atoms. Cl1- is bonded in a single-bond geometry to one N atom. In each CoN3Cl ribbon, Co2+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of Co–N bond distances ranging from 1.58–1.71 Å. There are three inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 2.47 Å. In the second N site, N is bonded in a distorted bent 150 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.58 Å. In the third N site, N is bonded in a single-bond geometry to one Co2+ atom. Cl1- is bonded in a distorted bent 120 degrees geometry to two N atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoN3Cl5 by Materials Project

CoCl4N2NCl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, and four CoCl4 clusters. In each CoCl4 cluster, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Co–Cl bond lengths are 2.14 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(N3Cl)2 by Materials Project

Co(N3Cl)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co4+ is bonded to six equivalent N+0.33- atoms to form CoN6 octahedra that share faces with eight equivalent ClN12 cuboctahedra. All Co–N bond lengths are 1.82 Å. N+0.33- is bonded in a single-bond geometry to one Co4+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.76 Å. Cl1- is bonded to twelve equivalent N+0.33- atoms to form ClN12 cuboctahedra that share corners with twelve equivalent ClN12 cuboctahedra, faces with six equivalent ClN12 cuboctahedra, and faces with four equivalent CoN6 octahedra.

36 MATERIALS SCIENCE↗