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At least 1,189 records · Page 66
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DOE OSTI2020

Materials Data on Tb2CdNi2 by Materials Project

Tb2Ni2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are two shorter (2.82 Å) and four longer (2.88 Å) Tb–Ni bond lengths. All Tb–Cd bond lengths are 3.27 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Cd atoms. The Ni–Ni bond length is 2.40 Å. Both Ni–Cd bond lengths are 2.95 Å. Cd is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of corner and face-sharing CdTb8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YTmCd2 by Materials Project

TmYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Tm–Cd bond lengths are 3.23 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.23 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CdCu2 by Materials Project

Er2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.85 Å) and four longer (2.91 Å) Er–Cu bond lengths. All Er–Cd bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Er, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.50 Å. Both Cu–Cd bond lengths are 3.03 Å. Cd is bonded to eight equivalent Er and four equivalent Cu atoms to form a mixture of face and corner-sharing CdEr8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCd2Ag by Materials Project

CaAgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaAgCd2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.33 Å. Ag is bonded in a linear geometry to two equivalent Cd atoms. Both Ag–Cd bond lengths are 2.75 Å. Cd is bonded in a linear geometry to one Ca and one Ag atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyErCd2 by Materials Project

ErDyCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Er–Cd bond lengths are 3.24 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Dy–Cd bond lengths are 3.24 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCd2Ag by Materials Project

LaAgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaAgCd2 ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Cd atoms. Both La–Cd bond lengths are 3.19 Å. Ag is bonded in a linear geometry to two equivalent Cd atoms. Both Ag–Cd bond lengths are 2.75 Å. Cd is bonded in a linear geometry to one La and one Ag atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CdPd2 by Materials Project

Er2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.84 Å) and four longer (2.99 Å) Er–Pd bond lengths. All Er–Cd bond lengths are 3.39 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Er, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.76 Å. Both Pd–Cd bond lengths are 3.02 Å. Cd is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing CdEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCd2Ir by Materials Project

LiIrCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiIrCd2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cd atoms. Both Li–Cd bond lengths are 2.74 Å. Ir is bonded in a linear geometry to two equivalent Cd atoms. Both Ir–Cd bond lengths are 2.70 Å. Cd is bonded in a linear geometry to one Li and one Ir atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaYCd2 by Materials Project

CaYCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.28 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.28 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdBrO by Materials Project

CdOBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded in a 6-coordinate geometry to three equivalent O and three equivalent Br atoms. There are a spread of Cd–O bond distances ranging from 2.21–2.30 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Cd–Br bond lengths. O is bonded to three equivalent Cd and one Br atom to form a mixture of distorted corner and edge-sharing OCd3Br tetrahedra. The O–Br bond length is 2.51 Å. Br is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSmCd2 by Materials Project

YbSmCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Yb–Cd bond lengths are 3.29 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Sm–Cd bond lengths are 3.29 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCaCd2 by Materials Project

SrCaCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrCaCd2 ribbons oriented in the (0, 1, 0) direction. Sr is bonded in a linear geometry to two equivalent Cd atoms. Both Sr–Cd bond lengths are 3.67 Å. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.53 Å. Cd is bonded in a linear geometry to one Sr and one Ca atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTmCd2 by Materials Project

TmGdCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Tm–Cd bond lengths are 3.25 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Gd–Cd bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCd4O5 by Materials Project

MnCd4O5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six CdO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten CdO6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of Mn–O bond distances ranging from 2.29–2.31 Å. There are five inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six CdO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight CdO6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. All Cd–O bond lengths are 2.37 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with three CdO6 octahedra, edges with three equivalent MnO6 octahedra, and edges with nine CdO6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Cd–O bond distances ranging from 2.37–2.43 Å. In the third Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten CdO6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are two shorter (2.36 Å) and four longer (2.44 Å) Cd–O bond lengths. In the fourth Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with five CdO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Cd–O bond distances ranging from 2.35–2.44 Å. In the fifth Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six CdO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Cd–O bond distances ranging from 2.36–2.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mn2+ and five Cd2+ atoms to form OMnCd5 octahedra that share corners with six OCd6 octahedra and edges with twelve OMnCd5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four Cd2+ atoms to form a mixture of edge and corner-sharing OMn2Cd4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O2- site, O2- is bonded to two equivalent Mn2+ and four Cd2+ atoms to form OMn2Cd4 octahedra that share corners with six OCd6 octahedra and edges with twelve OMnCd5 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the fourth O2- site, O2- is bonded to six Cd2+ atoms to form a mixture of edge and corner-sharing OCd6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fifth O2- site, O2- is bonded to one Mn2+ and five Cd2+ atoms to form OMnCd5 octahedra that share corners with six OCd6 octahedra and edges with twelve OMnCd5 octahedra. The corner-sharing octahedra tilt angles range from 1–3°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaHoCd2 by Materials Project

CaHoCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.27 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ho–Cd bond lengths are 3.27 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCdNi4 by Materials Project

YbNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Yb–Ni bond lengths are 2.86 Å. All Yb–Cd bond lengths are 2.99 Å. Ni is bonded to three equivalent Yb, six equivalent Ni, and three equivalent Cd atoms to form a mixture of edge, corner, and face-sharing NiYb3Cd3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.44 Å. All Ni–Cd bond lengths are 2.86 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Yb and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdC2S2(N4Cl)2 by Materials Project

Cd(N2Cl)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four amino-isothiocyanate molecules and two Cd(N2Cl)2 clusters. In each Cd(N2Cl)2 cluster, Cd2+ is bonded in a 2-coordinate geometry to two equivalent N+0.50- and two equivalent Cl1- atoms. Both Cd–N bond lengths are 3.01 Å. Both Cd–Cl bond lengths are 2.31 Å. There are two inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a single-bond geometry to one N+0.50- atom. The N–N bond length is 1.11 Å. In the second N+0.50- site, N+0.50- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one N+0.50- atom. Cl1- is bonded in a single-bond geometry to one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCd2Ag by Materials Project

YAgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YAgCd2 ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Cd atoms. Both Y–Cd bond lengths are 3.28 Å. Ag is bonded in a linear geometry to two equivalent Cd atoms. Both Ag–Cd bond lengths are 2.76 Å. Cd is bonded in a linear geometry to one Y and one Ag atom.

36 MATERIALS SCIENCE↗