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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaZn5 by Materials Project

LaZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.15 Å) and twelve longer (3.48 Å) La–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent La and eight Zn atoms to form a mixture of corner, edge, and face-sharing ZnLa4Zn8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaZn by Materials Project

LaZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All La–Zn bond lengths are 3.26 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Zn17 by Materials Project

La2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.50 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent La and nine Zn atoms to form distorted ZnLa3Zn9 cuboctahedra that share corners with twenty-three ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with twenty ZnLa3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one La and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.96 Å. In the third Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form ZnLa2Zn10 cuboctahedra that share corners with twenty-two ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with eighteen ZnLa3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the fourth Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form distorted ZnLa2Zn10 cuboctahedra that share corners with twenty-four ZnLa2Zn10 cuboctahedra, edges with five ZnLa2Zn10 cuboctahedra, and faces with twenty-one ZnLa3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaZn2 by Materials Project

LaZn2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are a spread of La–Zn bond distances ranging from 3.17–3.47 Å. Zn is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.67–2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaZn11 by Materials Project

LaZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.30–3.44 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent La and twelve Zn atoms. There are four shorter (2.81 Å) and eight longer (2.90 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnLa2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–3.00 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaZn4 by Materials Project

LaZn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to seventeen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.26–3.55 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four equivalent La and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–3.04 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent La and five Zn atoms. The Zn–Zn bond length is 2.50 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent La and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Zn by Materials Project

La3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Zn atoms to form distorted LaLa8Zn4 cuboctahedra that share corners with twelve equivalent LaLa8Zn4 cuboctahedra, edges with eight equivalent LaLa8Zn4 cuboctahedra, edges with eight equivalent ZnLa12 cuboctahedra, faces with four equivalent ZnLa12 cuboctahedra, and faces with ten equivalent LaLa8Zn4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.52 Å) La–La bond lengths. All La–Zn bond lengths are 3.52 Å. In the second La site, La is bonded in a distorted square co-planar geometry to eight equivalent La and four equivalent Zn atoms. All La–Zn bond lengths are 3.45 Å. Zn is bonded to twelve La atoms to form ZnLa12 cuboctahedra that share corners with four equivalent ZnLa12 cuboctahedra, edges with eight equivalent ZnLa12 cuboctahedra, edges with sixteen equivalent LaLa8Zn4 cuboctahedra, faces with four equivalent ZnLa12 cuboctahedra, and faces with eight equivalent LaLa8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗