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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdNi by Materials Project

NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.46 Å. There are three shorter (2.64 Å) and three longer (3.14 Å) Ni–Cd bond lengths. In the second Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Cd atoms. All Ni–Cd bond lengths are 2.53 Å. Cd is bonded in a 4-coordinate geometry to six Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdNi by Materials Project

NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ni and six equivalent Cd atoms to form face-sharing NiCd6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. All Ni–Cd bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.53 Å. There are three shorter (2.80 Å) and three longer (2.85 Å) Ni–Cd bond lengths. Cd is bonded in a 6-coordinate geometry to six Ni and eight equivalent Cd atoms. There are four shorter (2.98 Å) and four longer (3.23 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd5Ni by Materials Project

Cd5Ni crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to one Ni and seven Cd atoms. The Ni–Ni bond length is 2.62 Å. There are a spread of Ni–Cd bond distances ranging from 2.56–2.77 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to one Ni and nine Cd atoms. The Ni–Ni bond length is 2.81 Å. There are a spread of Ni–Cd bond distances ranging from 2.62–2.84 Å. In the third Ni site, Ni is bonded in a distorted q6 geometry to two equivalent Ni and eight Cd atoms. There are a spread of Ni–Cd bond distances ranging from 2.81–2.87 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Ni–Cd bond distances ranging from 2.66–2.80 Å. There are sixteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 1-coordinate geometry to five Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.74–3.27 Å. In the second Cd site, Cd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.80–3.39 Å. In the third Cd site, Cd is bonded to twelve Cd atoms to form distorted face-sharing CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.96–3.32 Å. In the fourth Cd site, Cd is bonded to twelve Cd atoms to form distorted face-sharing CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.44 Å. In the fifth Cd site, Cd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.08–3.33 Å. In the sixth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ni and four Cd atoms. The Cd–Cd bond length is 2.90 Å. In the seventh Cd site, Cd is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. There are one shorter (3.01 Å) and one longer (3.11 Å) Cd–Cd bond lengths. In the eighth Cd site, Cd is bonded in a 3-coordinate geometry to three Ni and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.86–3.19 Å. In the ninth Cd site, Cd is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. In the tenth Cd site, Cd is bonded in a 2-coordinate geometry to two Ni and three Cd atoms. The Cd–Cd bond length is 2.94 Å. In the eleventh Cd site, Cd is bonded in a 9-coordinate geometry to nine Cd atoms. There are one shorter (3.02 Å) and two longer (3.03 Å) Cd–Cd bond lengths. In the twelfth Cd site, Cd is bonded in a distorted single-bond geometry to one Ni and four Cd atoms. In the thirteenth Cd site, Cd is bonded in a 1-coordinate geometry to one Ni and ten Cd atoms. Both Cd–Cd bond lengths are 3.11 Å. In the fourteenth Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ni and three Cd atoms. In the fifteenth Cd site, Cd is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. In the sixteenth Cd site, Cd is bonded in a 3-coordinate geometry to three Ni and two Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3Ni by Materials Project

NiCd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to twelve equivalent Cd atoms to form NiCd12 cuboctahedra that share corners with twelve equivalent NiCd12 cuboctahedra, edges with twenty-four equivalent CdCd8Ni4 cuboctahedra, faces with six equivalent NiCd12 cuboctahedra, and faces with twelve equivalent CdCd8Ni4 cuboctahedra. All Ni–Cd bond lengths are 2.96 Å. Cd is bonded to four equivalent Ni and eight equivalent Cd atoms to form CdCd8Ni4 cuboctahedra that share corners with twelve equivalent CdCd8Ni4 cuboctahedra, edges with eight equivalent NiCd12 cuboctahedra, edges with sixteen equivalent CdCd8Ni4 cuboctahedra, faces with four equivalent NiCd12 cuboctahedra, and faces with fourteen equivalent CdCd8Ni4 cuboctahedra. All Cd–Cd bond lengths are 2.96 Å.

36 MATERIALS SCIENCE↗