Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Br”

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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2PtBr4 by Materials Project

K2PtBr4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Br1- atoms. All K–Br bond lengths are 3.48 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pt–Br bond lengths are 2.47 Å. Br1- is bonded to four equivalent K1+ and one Pt2+ atom to form a mixture of distorted edge, corner, and face-sharing BrK4Pt square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2MnBr4 by Materials Project

Rb2MnBr4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–3.84 Å. Mn2+ is bonded to six Br1- atoms to form corner-sharing MnBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.68 Å) and four longer (2.70 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to five equivalent Rb1+ and one Mn2+ atom to form distorted BrRb5Mn octahedra that share corners with seventeen BrRb5Mn octahedra, edges with eight equivalent BrRb5Mn octahedra, and faces with four equivalent BrRb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and two equivalent Mn2+ atoms to form distorted BrRb4Mn2 octahedra that share corners with fourteen BrRb5Mn octahedra, edges with two equivalent BrRb4Mn2 octahedra, and faces with eight BrRb5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–55°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl4HgBr6 by Materials Project

Tl4HgBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Hg2+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.60 Å) and four longer (3.12 Å) Hg–Br bond lengths. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.32–3.84 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 7-coordinate geometry to one Hg2+ and six equivalent Tl1+ atoms. In the second Br1- site, Br1- is bonded to one Hg2+ and four equivalent Tl1+ atoms to form distorted corner-sharing BrTl4Hg square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbCdBr3 by Materials Project

RbCdBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.55–3.75 Å. Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.69–2.92 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to one Rb1+ and three equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbNiBr3 by Materials Project

RbNiBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent NiBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent NiBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.72 Å) and six longer (3.88 Å) Rb–Br bond lengths. Ni2+ is bonded to six equivalent Br1- atoms to form NiBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent NiBr6 octahedra. All Ni–Br bond lengths are 2.56 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PtBr6 by Materials Project

K2PtBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, and faces with four equivalent PtBr6 octahedra. All K–Br bond lengths are 3.74 Å. Pt4+ is bonded to six equivalent Br1- atoms to form PtBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Pt–Br bond lengths are 2.50 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Pt4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsHgBr3 by Materials Project

CsHgBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent HgBr6 octahedra. All Cs–Br bond lengths are 4.03 Å. Hg2+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 2.85 Å. Br1- is bonded to four equivalent Cs1+ and two equivalent Hg2+ atoms to form a mixture of distorted edge, face, and corner-sharing BrCs4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsReBr4 by Materials Project

CsReBr4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.78–4.01 Å. Re3+ is bonded in a distorted square co-planar geometry to four Br1- atoms. There are a spread of Re–Br bond distances ranging from 2.49–2.51 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3(TeBr)2 by Materials Project

Hg3Te2Br2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a see-saw-like geometry to two equivalent Te2- and two equivalent Br1- atoms. Both Hg–Te bond lengths are 2.74 Å. Both Hg–Br bond lengths are 3.10 Å. Te2- is bonded in a 4-coordinate geometry to three equivalent Hg2+ and one Br1- atom. The Te–Br bond length is 4.00 Å. Br1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ and one Te2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5(Br4Cl)2 by Materials Project

Sr5(Br4Cl)2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.16 Å) and four longer (3.18 Å) Sr–Br bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six Br1- and two Cl1- atoms. There are a spread of Sr–Br bond distances ranging from 3.12–3.52 Å. There are one shorter (3.02 Å) and one longer (3.04 Å) Sr–Cl bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sr2+ atoms to form distorted BrSr4 trigonal pyramids that share corners with four ClSr4 tetrahedra, corners with three equivalent BrSr4 trigonal pyramids, an edgeedge with one ClSr4 tetrahedra, and edges with three equivalent BrSr4 trigonal pyramids. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sr2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Sr2+ atoms to form ClSr4 tetrahedra that share corners with twelve equivalent BrSr4 trigonal pyramids and edges with two equivalent ClSr4 tetrahedra. In the second Cl1- site, Cl1- is bonded to four equivalent Sr2+ atoms to form ClSr4 tetrahedra that share corners with four equivalent BrSr4 trigonal pyramids, edges with two equivalent ClSr4 tetrahedra, and edges with four equivalent BrSr4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo2SBr2 by Materials Project

Mo2SBr2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mo2SBr2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to three S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing MoS3Br2 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.57 Å. Both Mo–Br bond lengths are 2.64 Å. In the second Mo2+ site, Mo2+ is bonded to two S2- and three Br1- atoms to form a mixture of edge and corner-sharing MoS2Br3 square pyramids. There are one shorter (2.42 Å) and one longer (2.51 Å) Mo–S bond lengths. There are a spread of Mo–Br bond distances ranging from 2.64–2.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Mo2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Mo2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three Mo2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbTeBr3 by Materials Project

NbTeBr3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Nb5+ is bonded in a 7-coordinate geometry to two equivalent Te2- and five Br1- atoms. There are one shorter (2.81 Å) and one longer (2.90 Å) Nb–Te bond lengths. There are a spread of Nb–Br bond distances ranging from 2.56–2.79 Å. Te2- is bonded in a 9-coordinate geometry to two equivalent Nb5+, one Te2-, and six Br1- atoms. The Te–Te bond length is 2.70 Å. There are a spread of Te–Br bond distances ranging from 3.51–4.22 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Nb5+ and one Te2- atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Nb5+ and three equivalent Te2- atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTlBr4 by Materials Project

KTlBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.49–3.58 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Tl–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Tl3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PdBr6 by Materials Project

Rb2PdBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent PdBr6 octahedra. All Rb–Br bond lengths are 3.79 Å. Pd4+ is bonded to six equivalent Br1- atoms to form PdBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Pd–Br bond lengths are 2.51 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Pd4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As(BrF2)3 by Materials Project

As(BrF3)2Br is Modderite-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrobromic acid molecules and two As(BrF3)2 clusters. In each As(BrF3)2 cluster, As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. There are two inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one F1- atom. The Br–F bond length is 2.50 Å. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one F1- atom. The Br–F bond length is 2.47 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3+ and one Br1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3+ and one Br1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlCdBr3 by Materials Project

CdTlBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.72–2.88 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.42–3.63 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent Cd2+ and one Tl1+ atom. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and three equivalent Tl1+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to one Cd2+ and four equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbLiBr2 by Materials Project

RbLiBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are six shorter (3.53 Å) and two longer (4.03 Å) Rb–Br bond lengths. Li1+ is bonded to four Br1- atoms to form corner-sharing LiBr4 tetrahedra. There are two shorter (2.54 Å) and two longer (2.59 Å) Li–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Li1+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and two equivalent Li1+ atoms to form a mixture of distorted edge, face, and corner-sharing BrRb4Li2 octahedra. The corner-sharing octahedral tilt angles are 67°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2MnBr4 by Materials Project

Li2MnBr4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent LiBr6 octahedra, edges with four equivalent LiBr6 octahedra, and edges with four equivalent MnBr6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are four shorter (2.77 Å) and two longer (2.79 Å) Li–Br bond lengths. Mn2+ is bonded to six Br1- atoms to form MnBr6 octahedra that share edges with two equivalent MnBr6 octahedra and edges with eight equivalent LiBr6 octahedra. There are two shorter (2.70 Å) and four longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Li1+ and one Mn2+ atom to form a mixture of corner and edge-sharing BrLi4Mn square pyramids. In the second Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.

36 MATERIALS SCIENCE↗