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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrCd3 by Materials Project

Cd3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cd atoms to form ZrCd12 cuboctahedra that share corners with twelve equivalent ZrCd12 cuboctahedra, edges with twenty-four equivalent CdZr4Cd8 cuboctahedra, faces with six equivalent ZrCd12 cuboctahedra, and faces with twelve equivalent CdZr4Cd8 cuboctahedra. All Zr–Cd bond lengths are 3.13 Å. Cd is bonded to four equivalent Zr and eight equivalent Cd atoms to form CdZr4Cd8 cuboctahedra that share corners with twelve equivalent CdZr4Cd8 cuboctahedra, edges with eight equivalent ZrCd12 cuboctahedra, edges with sixteen equivalent CdZr4Cd8 cuboctahedra, faces with four equivalent ZrCd12 cuboctahedra, and faces with fourteen equivalent CdZr4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3Cd2 by Materials Project

Zr3Cd2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four Zr atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Zr–Zr bond lengths. In the second Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a distorted linear geometry to two equivalent Zr and two equivalent Cd atoms. Both Zr–Cd bond lengths are 2.81 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four Zr and two equivalent Cd atoms to form corner-sharing CdZr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cd–Cd bond lengths are 2.62 Å. In the second Cd site, Cd is bonded in a distorted linear geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrCd by Materials Project

ZrCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cd atoms to form ZrZr8Cd4 cuboctahedra that share corners with four equivalent ZrZr8Cd4 cuboctahedra, corners with eight equivalent CdZr4Cd8 cuboctahedra, edges with eight equivalent ZrZr8Cd4 cuboctahedra, edges with sixteen equivalent CdZr4Cd8 cuboctahedra, faces with six equivalent CdZr4Cd8 cuboctahedra, and faces with twelve equivalent ZrZr8Cd4 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.16 Å) Zr–Zr bond lengths. All Zr–Cd bond lengths are 3.23 Å. Cd is bonded to four equivalent Zr and eight equivalent Cd atoms to form CdZr4Cd8 cuboctahedra that share corners with four equivalent CdZr4Cd8 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with eight equivalent CdZr4Cd8 cuboctahedra, edges with sixteen equivalent ZrZr8Cd4 cuboctahedra, faces with six equivalent ZrZr8Cd4 cuboctahedra, and faces with twelve equivalent CdZr4Cd8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.16 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Cd by Materials Project

Zr2Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cd atoms to form ZrZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent CdZr8Cd4 cuboctahedra, faces with five equivalent CdZr8Cd4 cuboctahedra, and faces with thirteen equivalent ZrZr8Cd4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.17 Å) Zr–Zr bond lengths. All Zr–Cd bond lengths are 3.21 Å. Cd is bonded to eight equivalent Zr and four equivalent Cd atoms to form CdZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twenty-four equivalent ZrZr8Cd4 cuboctahedra, faces with eight equivalent CdZr8Cd4 cuboctahedra, and faces with ten equivalent ZrZr8Cd4 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3Cd by Materials Project

Zr3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cd atoms to form ZrZr8Cd4 cuboctahedra that share corners with twelve equivalent ZrZr8Cd4 cuboctahedra, edges with eight equivalent CdZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Cd4 cuboctahedra, faces with four equivalent CdZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Cd4 cuboctahedra. All Zr–Zr bond lengths are 3.16 Å. All Zr–Cd bond lengths are 3.16 Å. Cd is bonded to twelve equivalent Zr atoms to form CdZr12 cuboctahedra that share corners with twelve equivalent CdZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Cd4 cuboctahedra, faces with six equivalent CdZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗