Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Br-C-La”

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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La5C2Br9 by Materials Project

La5C2Br9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to two C3- and six Br1- atoms. There are one shorter (2.51 Å) and one longer (2.52 Å) La–C bond lengths. There are a spread of La–Br bond distances ranging from 3.08–3.35 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to two C3- and seven Br1- atoms. There are one shorter (2.45 Å) and one longer (2.56 Å) La–C bond lengths. There are a spread of La–Br bond distances ranging from 2.94–3.37 Å. In the third La3+ site, La3+ is bonded in a 5-coordinate geometry to one C3- and four Br1- atoms. The La–C bond length is 2.36 Å. There are a spread of La–Br bond distances ranging from 2.98–3.20 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to one C3- and six Br1- atoms. The La–C bond length is 2.30 Å. There are a spread of La–Br bond distances ranging from 3.11–3.54 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. The C–C bond length is 1.47 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four La3+ and one C3- atom. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to four La3+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two La3+ atoms. In the fifth Br1- site, Br1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the sixth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3C2Br3 by Materials Project

La3C2Br3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are seven inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to four C3- and four Br1- atoms to form LaC4Br4 hexagonal bipyramids that share edges with two equivalent LaC4Br4 hexagonal bipyramids, an edgeedge with one LaC2Br4 octahedra, edges with two equivalent LaC3Br4 pentagonal bipyramids, and faces with two equivalent LaC4Br4 hexagonal bipyramids. There are two shorter (2.64 Å) and two longer (2.86 Å) La–C bond lengths. There are two shorter (3.06 Å) and two longer (3.46 Å) La–Br bond lengths. In the second La3+ site, La3+ is bonded to four C3- and four Br1- atoms to form LaC4Br4 hexagonal bipyramids that share a cornercorner with one LaC3Br4 pentagonal bipyramid, an edgeedge with one LaC2Br4 octahedra, edges with two equivalent LaC3Br4 pentagonal bipyramids, and faces with three LaC4Br4 hexagonal bipyramids. There are a spread of La–C bond distances ranging from 2.60–2.85 Å. There are a spread of La–Br bond distances ranging from 3.10–3.40 Å. In the third La3+ site, La3+ is bonded to three C3- and four Br1- atoms to form distorted LaC3Br4 pentagonal bipyramids that share a cornercorner with one LaC4Br4 hexagonal bipyramid, edges with four LaC4Br4 hexagonal bipyramids, an edgeedge with one LaC2Br4 octahedra, an edgeedge with one LaC3Br4 pentagonal bipyramid, and a faceface with one LaC4Br4 hexagonal bipyramid. There are a spread of La–C bond distances ranging from 2.39–2.79 Å. There are a spread of La–Br bond distances ranging from 3.06–3.36 Å. In the fourth La3+ site, La3+ is bonded to four C3- and four Br1- atoms to form LaC4Br4 hexagonal bipyramids that share a cornercorner with one LaC2Br4 octahedra, edges with two LaC4Br4 hexagonal bipyramids, an edgeedge with one LaC2Br4 octahedra, an edgeedge with one LaC3Br4 pentagonal bipyramid, faces with two equivalent LaC4Br4 hexagonal bipyramids, and a faceface with one LaC3Br4 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 7°. There are a spread of La–C bond distances ranging from 2.62–2.85 Å. There are a spread of La–Br bond distances ranging from 3.09–3.34 Å. In the fifth La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four Br1- atoms. There are a spread of La–C bond distances ranging from 2.34–2.78 Å. There are a spread of La–Br bond distances ranging from 3.13–3.24 Å. In the sixth La3+ site, La3+ is bonded to two equivalent C3- and four Br1- atoms to form LaC2Br4 octahedra that share corners with two equivalent LaC4Br4 hexagonal bipyramids, edges with five LaC4Br4 hexagonal bipyramids, and edges with two equivalent LaC3Br4 pentagonal bipyramids. Both La–C bond lengths are 2.39 Å. There are two shorter (3.10 Å) and two longer (3.24 Å) La–Br bond lengths. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four Br1- atoms. There are one shorter (2.34 Å) and two longer (2.75 Å) La–C bond lengths. There are a spread of La–Br bond distances ranging from 3.12–3.25 Å. There are four inequivalent C3- sites. In the first C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. The C–C bond length is 1.40 Å. In the second C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. In the third C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. The C–C bond length is 1.40 Å. In the fourth C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the third Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the sixth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to four La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3CBr5 by Materials Project

La3CBr5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to one C4- and six Br1- atoms. The La–C bond length is 2.31 Å. There are a spread of La–Br bond distances ranging from 2.99–3.49 Å. In the second La3+ site, La3+ is bonded in a 1-coordinate geometry to one C4- and seven Br1- atoms. The La–C bond length is 2.32 Å. There are a spread of La–Br bond distances ranging from 3.16–3.31 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to two equivalent C4- and six Br1- atoms. There are one shorter (2.47 Å) and one longer (2.48 Å) La–C bond lengths. There are a spread of La–Br bond distances ranging from 3.16–3.47 Å. C4- is bonded to four La3+ atoms to form CLa4 tetrahedra that share corners with five BrLa4 tetrahedra and an edgeedge with one CLa4 tetrahedra. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four La3+ atoms to form distorted BrLa4 tetrahedra that share corners with six equivalent CLa4 tetrahedra and an edgeedge with one BrLa4 tetrahedra. In the second Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La3+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted T-shaped geometry to three La3+ atoms. In the fifth Br1- site, Br1- is bonded in a 4-coordinate geometry to four La3+ atoms. In the sixth Br1- site, Br1- is bonded to four La3+ atoms to form BrLa4 tetrahedra that share corners with four equivalent CLa4 tetrahedra and an edgeedge with one BrLa4 tetrahedra. In the seventh Br1- site, Br1- is bonded in a 4-coordinate geometry to four La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4C2Br5 by Materials Project

La4C2Br5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two La4C2Br5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to four equivalent C+3.50- and four Br1- atoms to form distorted LaC4Br4 hexagonal bipyramids that share corners with two equivalent LaC4Br4 hexagonal bipyramids, edges with three equivalent LaC4Br4 hexagonal bipyramids, edges with four equivalent LaCBr4 square pyramids, and faces with three equivalent LaC4Br4 hexagonal bipyramids. All La–C bond lengths are 2.74 Å. There are two shorter (3.12 Å) and two longer (3.20 Å) La–Br bond lengths. In the second La3+ site, La3+ is bonded to one C+3.50- and four equivalent Br1- atoms to form distorted LaCBr4 square pyramids that share edges with four equivalent LaC4Br4 hexagonal bipyramids and edges with two equivalent LaCBr4 square pyramids. The La–C bond length is 2.31 Å. All La–Br bond lengths are 3.06 Å. C+3.50- is bonded in a 6-coordinate geometry to five La3+ and one C+3.50- atom. The C–C bond length is 1.42 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the second Br1- site, Br1- is bonded in a square co-planar geometry to four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCBr by Materials Project

LaCBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LaCBr sheet oriented in the (0, 0, 1) direction. La3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Br1- atoms. There are a spread of La–C bond distances ranging from 2.51–2.84 Å. There are two shorter (3.07 Å) and one longer (3.18 Å) La–Br bond lengths. C2- is bonded in a 2-coordinate geometry to five equivalent La3+ and one C2- atom. The C–C bond length is 1.32 Å. Br1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.

36 MATERIALS SCIENCE↗