Search NASA⌕ Search

SEARCH · Search NASA

Results for “Molecules in Space”

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.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2NaCr(CN)6 by Materials Project

Rb2Na(CN)6Cr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two chromium molecules and one Rb2Na(CN)6 framework. In the Rb2Na(CN)6 framework, Rb1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.07–3.44 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.53 Å) and two longer (2.57 Å) Na–N bond lengths. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one Rb1+, one Na1+, and one C2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Co(NO2)6 by Materials Project

Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three cobalt molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are six shorter (2.71 Å) and six longer (2.92 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.35 Å) and three longer (2.37 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SrNi(NO2)6 by Materials Project

K2Sr(NO2)6Ni crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K2Sr(NO2)6 framework. In the K2Sr(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent SrO12 cuboctahedra. All K–O bond lengths are 3.12 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Sr–O bond lengths are 2.78 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeSb4C6(O3F11)2 by Materials Project

Fe(CO)6(Sb2F11)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two iron molecules, and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+1.75+ sites. In the first Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. In the second Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+1.75+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2CuPb(NO2)6 by Materials Project

Cs2PbCu(NO2)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional and consists of four copper molecules and one Cs2Pb(NO2)6 framework. In the Cs2Pb(NO2)6 framework, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra and faces with four equivalent PbO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.24–3.29 Å. Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share faces with eight equivalent CsO12 cuboctahedra. There are eight shorter (2.88 Å) and four longer (2.91 Å) Pb–O bond lengths. There are three inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. In the third N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+, one Pb2+, and one N3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+, one Pb2+, and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+, one Pb2+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3PbC by Materials Project

Sm3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Sm3Pb framework. In the Sm3Pb framework, Sm is bonded in a linear geometry to two equivalent Pb atoms. Both Sm–Pb bond lengths are 2.90 Å. Pb is bonded to six equivalent Sm atoms to form corner-sharing PbSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3PbN by Materials Project

(Nd3Pb)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Nd3Pb framework. In the Nd3Pb framework, Nd is bonded in a linear geometry to two equivalent Pb atoms. Both Nd–Pb bond lengths are 2.95 Å. Pb is bonded to six equivalent Nd atoms to form corner-sharing PbNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3TlC by Materials Project

Tb3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Tl framework. In the Tb3Tl framework, Tb is bonded in a linear geometry to two equivalent Tl atoms. Both Tb–Tl bond lengths are 2.82 Å. Tl is bonded to six equivalent Tb atoms to form corner-sharing TlTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2CuPb(NO2)6 by Materials Project

K2PbCu(NO2)6 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four copper molecules and one K2Pb(NO2)6 framework. In the K2Pb(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent PbO12 cuboctahedra. All K–O bond lengths are 3.17 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Pb–O bond lengths are 2.83 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a single-bond geometry to two equivalent K1+, one Pb2+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3PbC by Materials Project

Gd3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Gd3Pb framework. In the Gd3Pb framework, Gd is bonded in a linear geometry to two equivalent Pb atoms. Both Gd–Pb bond lengths are 2.89 Å. Pb is bonded to six equivalent Gd atoms to form corner-sharing PbGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Ir(NO2)6 by Materials Project

KIr(K(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four potassium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.69 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.14 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent N3+, and one O2- atom. The O–O bond length is 1.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3Ir(NO2)6 by Materials Project

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2FeCu(CN)6 by Materials Project

FeRb2Cu(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Rb2Cu(CN)6 framework. In the Rb2Cu(CN)6 framework, Rb1+ is bonded to twelve equivalent N3- atoms to form distorted RbN12 cuboctahedra that share corners with twelve equivalent RbN12 cuboctahedra, faces with six equivalent RbN12 cuboctahedra, and faces with four equivalent CuN6 octahedra. All Rb–N bond lengths are 3.68 Å. Cu1+ is bonded to six equivalent N3- atoms to form CuN6 octahedra that share faces with eight equivalent RbN12 cuboctahedra. All Cu–N bond lengths are 2.10 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Rb1+, one Cu1+, and one C2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3SnC by Materials Project

Ce3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Ce3Sn framework. In the Ce3Sn framework, Ce is bonded in a linear geometry to two equivalent Sn atoms. Both Ce–Sn bond lengths are 2.92 Å. Sn is bonded to six equivalent Ce atoms to form corner-sharing SnCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3GaC by Materials Project

Mn3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Mn3Ga framework. In the Mn3Ga framework, Mn is bonded in a linear geometry to two equivalent Ga atoms. Both Mn–Ga bond lengths are 2.31 Å. Ga is bonded to six equivalent Mn atoms to form corner-sharing GaMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3InC by Materials Project

Sm3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Sm3In framework. In the Sm3In framework, Sm is bonded in a linear geometry to two equivalent In atoms. Both Sm–In bond lengths are 2.86 Å. In is bonded to six equivalent Sm atoms to form corner-sharing InSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2BPt3 by Materials Project

Li2Pt3B crystallizes in the cubic P4_332 space group. The structure is three-dimensional and consists of eight lithium molecules and one Pt3B framework. In the Pt3B framework, Pt+0.33+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Pt–B bond lengths are 2.18 Å. B3- is bonded to six equivalent Pt+0.33+ atoms to form distorted corner-sharing BPt6 octahedra. The corner-sharing octahedral tilt angles are 31°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Rh(NO2)6 by Materials Project

K(K(NO2)3)2Rh crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four potassium molecules, four rhodium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.68 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.12 Å. O2- is bonded to two equivalent K1+, two equivalent N3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OK2N2O square pyramids. The O–O bond length is 1.34 Å.

36 MATERIALS SCIENCE↗