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At least 1,117 records · Page 62
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DOE OSTI2020

Materials Data on Mg3Cd by Materials Project

Mg3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Cd atoms to form MgMg8Cd4 cuboctahedra that share corners with four equivalent MgMg8Cd4 cuboctahedra, corners with eight equivalent CdMg12 cuboctahedra, edges with twenty-four MgMg8Cd4 cuboctahedra, faces with six equivalent CdMg12 cuboctahedra, and faces with twelve MgMg8Cd4 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–Cd bond lengths are 3.24 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Cd atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with twelve equivalent MgMg8Cd4 cuboctahedra, edges with eight equivalent CdMg12 cuboctahedra, edges with sixteen MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Cd bond lengths are 3.11 Å. Cd is bonded to twelve Mg atoms to form CdMg12 cuboctahedra that share corners with four equivalent CdMg12 cuboctahedra, corners with eight equivalent MgMg8Cd4 cuboctahedra, edges with eight equivalent CdMg12 cuboctahedra, edges with sixteen equivalent MgMg8Cd4 cuboctahedra, faces with four equivalent CdMg12 cuboctahedra, and faces with fourteen MgMg8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CdAu2 by Materials Project

La2Au2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Cd atoms. There are two shorter (3.06 Å) and four longer (3.20 Å) La–Au bond lengths. All La–Cd bond lengths are 3.65 Å. Au is bonded in a 9-coordinate geometry to six equivalent La, one Au, and two equivalent Cd atoms. The Au–Au bond length is 3.00 Å. Both Au–Cd bond lengths are 3.29 Å. Cd is bonded to eight equivalent La and four equivalent Au atoms to form a mixture of corner and face-sharing CdLa8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCdAg2 by Materials Project

NdAg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent Cd atoms. All Nd–Ag bond lengths are 3.10 Å. All Nd–Cd bond lengths are 3.58 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.10 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Nd and eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGdCd2 by Materials Project

YbGdCd2 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 3.26 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Gd–Cd bond lengths are 3.26 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaEuCd2 by Materials Project

EuLaCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Eu–Cd bond lengths are 3.44 Å. La is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All La–Cd bond lengths are 3.44 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCd2In by Materials Project

LiCd2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCd2In 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 2.79 Å. Cd is bonded in a linear geometry to one Li and one In atom. The Cd–In bond length is 3.08 Å. In is bonded in a linear geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2PdPt by Materials Project

PtPdCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two PtPdCd2 ribbons oriented in the (1, 0, 0) direction. Pt is bonded in a linear geometry to two equivalent Cd atoms. Both Pt–Cd bond lengths are 2.59 Å. Pd is bonded in a linear geometry to two equivalent Cd atoms. Both Pd–Cd bond lengths are 2.62 Å. Cd is bonded in a linear geometry to one Pt and one Pd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaCaCd2 by Materials Project

BaCaCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaCaCd2 ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to two equivalent Cd atoms. Both Ba–Cd bond lengths are 3.65 Å. Ca is bonded in a linear geometry to two equivalent Cd atoms. Both Ca–Cd bond lengths are 3.38 Å. Cd is bonded in a linear geometry to one Ba and one Ca atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdGePO7 by Materials Project

CdGePO7 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent GeO6 octahedra, corners with four equivalent PO4 tetrahedra, and edges with two equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Cd–O bond distances ranging from 2.29–2.36 Å. Ge is bonded to six O atoms to form GeO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with two equivalent GeO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–55°. There are a spread of Ge–O bond distances ranging from 1.86–1.94 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one Ge atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Ge atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ge and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoMgCd2 by Materials Project

MgHoCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.11 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ho–Cd bond lengths are 3.11 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaMgCd2 by Materials Project

CaMgCd2 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 3.16 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Mg–Cd bond lengths are 3.16 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Cd(ClO2)6 by Materials Project

Mg2Cd(O2Cl)6 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Mg2Cd(O2Cl)6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.57 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to four O and one Cl atom. There are a spread of Mg–O bond distances ranging from 1.97–2.20 Å. The Mg–Cl bond length is 2.46 Å. Cd is bonded in a trigonal planar geometry to three Cl atoms. There are a spread of Cd–Cl bond distances ranging from 2.37–2.50 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.55 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.56 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mg atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.54 Å. In the ninth O site, O is bonded in a linear geometry to one Mg and one Cl atom. The O–Cl bond length is 1.52 Å. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to one Mg and one Cd atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Cd atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Cd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuCd2In by Materials Project

EuCd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Cd and six equivalent In atoms. All Eu–Cd bond lengths are 3.25 Å. All Eu–In bond lengths are 3.75 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent In atoms. All Cd–In bond lengths are 3.25 Å. In is bonded in a 8-coordinate geometry to six equivalent Eu and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaCd2Ag by Materials Project

NaAgCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaAgCd2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Cd atoms. Both Na–Cd bond lengths are 3.07 Å. Ag is bonded in a linear geometry to two equivalent Cd atoms. Both Ag–Cd bond lengths are 2.79 Å. Cd is bonded in a linear geometry to one Na and one Ag atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaCeCd2 by Materials Project

CaCeCd2 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 3.31 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ce–Cd bond lengths are 3.31 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2RhAu by Materials Project

RhAuCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two RhAuCd2 ribbons oriented in the (1, 0, 0) direction. Rh is bonded in a linear geometry to two equivalent Cd atoms. Both Rh–Cd bond lengths are 2.65 Å. Au is bonded in a linear geometry to two equivalent Cd atoms. Both Au–Cd bond lengths are 2.68 Å. Cd is bonded in a linear geometry to one Rh and one Au atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSrCd2 by Materials Project

BaSrCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BaSrCd2 ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to two equivalent Cd atoms. Both Ba–Cd bond lengths are 3.81 Å. Sr is bonded in a linear geometry to two equivalent Cd atoms. Both Sr–Cd bond lengths are 3.72 Å. Cd is bonded in a linear geometry to one Ba and one Sr atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2CdCu2 by Materials Project

Y2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Y–Cu bond lengths. All Y–Cd bond lengths are 3.35 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Y, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.51 Å. Both Cu–Cd bond lengths are 3.04 Å. Cd is bonded to eight equivalent Y and four equivalent Cu atoms to form a mixture of corner and face-sharing CdY8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗