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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on IN4 by Materials Project

IN4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four IN4 ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+0.25+ sites. In the first N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to one N+0.25+ and two equivalent I1- atoms. The N–N bond length is 1.30 Å. There are one shorter (2.26 Å) and one longer (2.82 Å) N–I bond lengths. In the second N+0.25+ site, N+0.25+ is bonded in a 3-coordinate geometry to three N+0.25+ atoms. There is one shorter (1.33 Å) and one longer (1.37 Å) N–N bond length. In the third N+0.25+ site, N+0.25+ is bonded in a distorted single-bond geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.05 Å. In the fourth N+0.25+ site, N+0.25+ is bonded in a distorted water-like geometry to one N+0.25+ and one I1- atom. The N–I bond length is 2.13 Å. I1- is bonded in a 3-coordinate geometry to four N+0.25+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IN4 by Materials Project

IN4 crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of eight nitrogen molecules and two I ribbons oriented in the (1, 0, 0) direction. In each I ribbon, I1- is bonded in a bent 150 degrees geometry to two equivalent I1- atoms. Both I–I bond lengths are 3.04 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In4(Co4C)3 by Materials Project

In4(Co4C)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded in a single-bond geometry to four equivalent Co, four equivalent In, and one C atom. All Co–Co bond lengths are 2.64 Å. All Co–In bond lengths are 2.71 Å. The Co–C bond length is 1.88 Å. In the second Co site, Co is bonded in a linear geometry to four equivalent In and two C atoms. All Co–In bond lengths are 2.71 Å. There is one shorter (1.92 Å) and one longer (1.98 Å) Co–C bond length. In the third Co site, Co is bonded to eight Co and four equivalent In atoms to form CoIn4Co8 cuboctahedra that share corners with four equivalent CoIn4Co8 cuboctahedra, corners with four equivalent CCo6 octahedra, edges with eight equivalent InCo12 cuboctahedra, faces with four equivalent InCo12 cuboctahedra, and faces with eight equivalent CoIn4Co8 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Co–Co bond lengths are 2.71 Å. All Co–In bond lengths are 2.67 Å. In the fourth Co site, Co is bonded in a linear geometry to four In and two equivalent C atoms. There are two shorter (2.69 Å) and two longer (2.72 Å) Co–In bond lengths. Both Co–C bond lengths are 1.92 Å. In the fifth Co site, Co is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Co–In bond lengths are 2.70 Å. Both Co–C bond lengths are 1.91 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Co atoms to form InCo12 cuboctahedra that share corners with twelve InCo12 cuboctahedra, edges with eight equivalent CoIn4Co8 cuboctahedra, faces with four equivalent CoIn4Co8 cuboctahedra, faces with six InCo12 cuboctahedra, and faces with four equivalent CCo6 octahedra. In the second In site, In is bonded to twelve Co atoms to form InCo12 cuboctahedra that share corners with twelve InCo12 cuboctahedra, faces with six InCo12 cuboctahedra, and faces with eight CCo6 octahedra. There are two inequivalent C sites. In the first C site, C is bonded to six Co atoms to form CCo6 octahedra that share corners with four equivalent CoIn4Co8 cuboctahedra, corners with five CCo6 octahedra, and faces with eight InCo12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second C site, C is bonded to six Co atoms to form CCo6 octahedra that share corners with six CCo6 octahedra and faces with eight equivalent InCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In4(SnO4)3 by Materials Project

In4Sn3O12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.12–2.60 Å. In the second In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.70 Å. In the third In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.67 Å. In the fourth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.12–2.69 Å. In the fifth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.12–2.67 Å. In the sixth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.14–2.69 Å. In the seventh In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.61 Å. In the eighth In3+ site, In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.13–2.74 Å. There are six inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.60 Å. In the second Sn4+ site, Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.11 Å. In the third Sn4+ site, Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.12 Å. In the fourth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.05–2.25 Å. In the fifth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.29 Å. In the sixth Sn4+ site, Sn4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.64 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three In3+ and one Sn4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one In3+ and two Sn4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the fourth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OIn3Sn tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the seventh O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with four OIn2Sn2 tetrahedra, corners with two equivalent OIn2Sn2 trigonal pyramids, and edges with three OIn3Sn tetrahedra. In the eighth O2- site, O2- is bonded to two In3+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OIn2Sn2 tetrahedra. In the ninth O2- site, O2- is bonded to two In3+ and two Sn4+ atoms to form distorted OIn2Sn2 tetrahedra that share corners with six OIn3Sn tetrahedra and edges with three OIn2Sn2 tetrahedra. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the eleventh O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with six OIn3Sn tetrahedra, edges with two OIn3Sn tetrahedra, and an edgeedge with one OIn2Sn2 trigonal pyramid. In the twelfth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with five OIn3Sn tetrahedra, a cornercorner with one OIn2Sn2 trigonal pyramid, and edges with three OIn3Sn tetrahedra. In the thirteenth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with four OIn3Sn tetrahedra, corners with two equivalent OIn2Sn2 trigonal pyramids, and edges with three OIn3Sn tetrahedra. In the fourteenth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form distorted OIn3Sn tetrahedra that share corners with six OIn3Sn tetrahedra and edges with three OIn2Sn2 tetrahedra. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to two In3+ and two Sn4+ atoms. In the sixteenth O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form OIn3Sn tetrahedra that share corners with six OIn3Sn tetrahedra, edges with two OIn3Sn tetrahedra, and an edgeedge with one OIn2Sn2 trigonal pyramid. In the seventeenth O2- site, O2- is bonded to two In3+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OIn2Sn2 trigonal pyramids. In the eighteenth O2- site, O2- is bonded to two In3+ and two Sn4+ atoms to form distorted OIn2Sn2 tetrahedra that share corners with six OIn2Sn2 tetrahedra and edges with three OIn3Sn tetrahedra. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the twenty-first O2- site, O2- is bonded to three In3+ and one Sn4+ atom to form OIn3Sn tetrahedra that share corners with five OIn3Sn tetrahedra, a cornercorner with one OIn2Sn2 trigonal pyramid, edges with two OIn3Sn tetrahedra, and an edgeedge with one OIn2Sn2 trigonal pyramid. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two In3+ and two Sn4+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two In3+ and one Sn4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two In3+ and two Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdC4S4(IN4)2 by Materials Project

PdC4S4(N4I)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two PdC4S4(N4I)2 ribbons oriented in the (-1, 0, 1) direction. Pd2+ is bonded in a distorted octahedral geometry to two equivalent N1- and four S2- atoms. Both Pd–N bond lengths are 2.13 Å. There are two shorter (2.39 Å) and two longer (2.41 Å) Pd–S bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a 1-coordinate geometry to two N1- and one S2- atom. Both C–N bond lengths are 1.37 Å. The C–S bond length is 1.62 Å. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N1- and one S2- atom. There is one shorter (1.32 Å) and one longer (1.34 Å) C–N bond length. The C–S bond length is 1.80 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ and one S2- atom. The N–S bond length is 2.87 Å. In the second N1- site, N1- is bonded in a distorted single-bond geometry to one C4+ atom. In the third N1- site, N1- is bonded in a 2-coordinate geometry to one Pd2+, one C4+, and one I1- atom. The N–I bond length is 2.32 Å. In the fourth N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one I1- atom. The N–I bond length is 2.06 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Pd2+ and one C4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Pd2+, one C4+, and one N1- atom. I1- is bonded in a 2-coordinate geometry to two N1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IN5 by Materials Project

IN5 is lead oxide-like structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two ammonia molecules and two IN4 clusters. In each IN4 cluster, N+0.20+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 2.13 Å. I1- is bonded in a distorted square co-planar geometry to four equivalent N+0.20+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Large Proton Anisotropies in the 18 August 2010 Solar Particle Event

The solar particle event observed at STEREO Ahead on 18 August 2010 displayeda rich variety of behavior in the particle anisotropies. Sectored rates measured by theLow Energy Telescope (LET) on STEREO showed very large bidirectional anisotropies in4 6 MeV protons for the first 17 hours of the event while inside a magnetic cloud, withintensities along the field direction several hundred to nearly 1000 times greater than thoseperpendicular to the field. At the trailing end of the cloud, the protons became isotropic andtheir spectrum hardened slightly, while the HeH abundance ratio plunged by a factor of approximatelyfour for about four hours. Associated with the arrival of a shock on 20 Augustwas a series of brief (10 minute duration) intensity increases (commonly called shockspikes) with relatively narrow angular distributions (45 FWHM), followed by an abruptdecrease in particle intensities at the shock itself and a reversal of the proton flow to a directiontoward the Sun and away from the receding shock. We discuss the STEREOLETobservations of this interesting event in the context of other observations reported in theliterature

cosmic rays solar↗