Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MgCd2”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

15 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgCd2(ClO2)6 by Materials Project

MgCd2(O2Cl3)2(O2)4 crystallizes in the orthorhombic Fdd2 space group. The structure is two-dimensional and consists of thirty-two hydrogen peroxide molecules and four MgCd2(O2Cl3)2 sheets oriented in the (0, 0, 1) direction. In each MgCd2(O2Cl3)2 sheet, Mg is bonded in a tetrahedral geometry to four O atoms. There are two shorter (1.96 Å) and two longer (2.04 Å) Mg–O bond lengths. Cd is bonded in a 4-coordinate geometry to one O and three Cl atoms. The Cd–O bond length is 2.28 Å. There are a spread of Cd–Cl bond distances ranging from 2.48–2.59 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.65 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Mg, one Cd, and one Cl atom. The O–Cl bond length is 1.71 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Cd and one O atom. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent Cd atoms. In the third Cl site, Cl is bonded in a distorted single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2(ClO2)6 by Materials Project

MgCd2(O4Cl3)2(O2)2 crystallizes in the orthorhombic Fdd2 space group. The structure is two-dimensional and consists of sixteen hydrogen peroxide molecules and four MgCd2(O4Cl3)2 sheets oriented in the (0, 0, 1) direction. In each MgCd2(O4Cl3)2 sheet, Mg is bonded in a tetrahedral geometry to four O atoms. There are two shorter (1.98 Å) and two longer (2.08 Å) Mg–O bond lengths. Cd is bonded to five Cl atoms to form distorted edge-sharing CdCl5 square pyramids. There are a spread of Cd–Cl bond distances ranging from 2.54–3.06 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.63 Å. In the second O site, O is bonded in a water-like geometry to one Mg and one O atom. The O–O bond length is 1.39 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Cd and one O atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Cd atoms. In the third Cl site, Cl is bonded in an L-shaped geometry to two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Cd atoms to form MgMg3Cd9 cuboctahedra that share corners with nine equivalent MgMg3Cd9 cuboctahedra, corners with nine equivalent CdMg6Cd6 cuboctahedra, edges with six equivalent MgMg3Cd9 cuboctahedra, edges with twelve equivalent CdMg4Cd8 cuboctahedra, faces with five equivalent MgMg3Cd9 cuboctahedra, and faces with fifteen CdMg4Cd8 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are three shorter (3.14 Å) and six longer (3.16 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form CdMg4Cd8 cuboctahedra that share corners with eighteen equivalent CdMg4Cd8 cuboctahedra, edges with eight equivalent MgMg3Cd9 cuboctahedra, edges with ten CdMg4Cd8 cuboctahedra, faces with eight equivalent MgMg3Cd9 cuboctahedra, and faces with twelve CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.13–3.16 Å. In the second Cd site, Cd is bonded to six equivalent Mg and six equivalent Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with eighteen equivalent MgMg3Cd9 cuboctahedra, edges with eighteen CdMg4Cd8 cuboctahedra, faces with six equivalent MgMg3Cd9 cuboctahedra, and faces with fourteen CdMg4Cd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg is bonded to six equivalent Cd atoms to form a mixture of corner and edge-sharing MgCd6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.83 Å) and four longer (2.91 Å) Mg–Cd bond lengths. Cd is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to seven Cd atoms to form distorted MgCd7 cuboctahedra that share corners with twenty-one CdMg3Cd9 cuboctahedra, edges with four equivalent MgCd7 cuboctahedra, edges with seventeen CdMg3Cd9 cuboctahedra, a faceface with one CdMg3Cd9 cuboctahedra, and faces with three equivalent MgCd7 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.07–3.12 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with ten equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with nine equivalent MgCd7 cuboctahedra, edges with eleven CdMg3Cd9 cuboctahedra, a faceface with one MgCd7 cuboctahedra, and faces with thirteen CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.17–3.23 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with eleven equivalent MgCd7 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with eight equivalent MgCd7 cuboctahedra, edges with nine CdMg3Cd9 cuboctahedra, and faces with fourteen CdMg3Cd9 cuboctahedra. There are one shorter (3.15 Å) and two longer (3.19 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Cd atoms to form distorted MgMg6Cd6 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve CdMg4Cd8 cuboctahedra, edges with four equivalent MgMg6Cd6 cuboctahedra, edges with fourteen CdMg4Cd8 cuboctahedra, faces with eight equivalent MgMg6Cd6 cuboctahedra, and faces with twelve CdMg4Cd8 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Cd bond distances ranging from 3.08–3.11 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve CdMg4Cd8 cuboctahedra, edges with three equivalent MgMg6Cd6 cuboctahedra, edges with fifteen CdMg4Cd8 cuboctahedra, faces with eight equivalent MgMg6Cd6 cuboctahedra, and faces with twelve CdMg4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.17–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Mg and ten Cd atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve CdMg4Cd8 cuboctahedra, edges with seven equivalent CdMg4Cd8 cuboctahedra, edges with eleven equivalent MgMg6Cd6 cuboctahedra, faces with four equivalent MgMg6Cd6 cuboctahedra, and faces with sixteen CdMg4Cd8 cuboctahedra. There are two shorter (3.13 Å) and two longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Cd atoms to form distorted MgCd8 cuboctahedra that share corners with ten MgCd8 cuboctahedra, corners with sixteen CdMg3Cd9 cuboctahedra, edges with three equivalent MgCd8 cuboctahedra, edges with eight CdMg3Cd9 cuboctahedra, faces with three MgCd8 cuboctahedra, and faces with nine CdMg3Cd9 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.02–3.17 Å. In the second Mg site, Mg is bonded to eight Cd atoms to form distorted MgCd8 cuboctahedra that share corners with ten MgCd8 cuboctahedra, corners with fourteen CdMg3Cd9 cuboctahedra, edges with three equivalent MgCd8 cuboctahedra, edges with ten CdMg3Cd9 cuboctahedra, faces with three MgCd8 cuboctahedra, and faces with seven CdMg3Cd9 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.05–3.20 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded to three Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six MgCd8 cuboctahedra, corners with twenty CdMg3Cd9 cuboctahedra, edges with five MgCd8 cuboctahedra, edges with six CdMg5Cd7 cuboctahedra, faces with six MgCd8 cuboctahedra, and faces with thirteen CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.06–3.30 Å. In the second Cd site, Cd is bonded to five Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with six MgCd8 cuboctahedra, corners with twenty CdMg3Cd9 cuboctahedra, edges with eight MgCd8 cuboctahedra, edges with eight CdMg3Cd9 cuboctahedra, faces with two equivalent MgCd8 cuboctahedra, and faces with twelve CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.09–3.30 Å. In the third Cd site, Cd is bonded to four Mg and six Cd atoms to form distorted CdMg4Cd6 cuboctahedra that share corners with six MgCd8 cuboctahedra, corners with twenty-two CdMg3Cd9 cuboctahedra, edges with five MgCd8 cuboctahedra, edges with six CdMg3Cd9 cuboctahedra, faces with two MgCd8 cuboctahedra, and faces with eleven CdMg3Cd9 cuboctahedra. Both Cd–Cd bond lengths are 3.14 Å. In the fourth Cd site, Cd is bonded to four Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with eight CdMg4Cd6 cuboctahedra, corners with twelve MgCd8 cuboctahedra, edges with ten CdMg3Cd9 cuboctahedra, faces with six MgCd8 cuboctahedra, and faces with fourteen CdMg3Cd9 cuboctahedra. Both Cd–Cd bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Cd atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eighteen CdMg6Cd6 cuboctahedra, faces with ten equivalent MgMg4Cd8 cuboctahedra, and faces with ten CdMg6Cd6 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.22 Å) Mg–Mg bond lengths. There are two shorter (3.10 Å) and six longer (3.13 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg4Cd8 cuboctahedra, edges with eleven CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg4Cd8 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.14–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Mg and ten Cd atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven CdMg6Cd6 cuboctahedra, edges with eleven equivalent MgMg4Cd8 cuboctahedra, faces with four equivalent MgMg4Cd8 cuboctahedra, and faces with sixteen CdMg6Cd6 cuboctahedra. There are four shorter (3.16 Å) and two longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to ten Cd atoms to form distorted MgCd10 cuboctahedra that share corners with four equivalent MgCd10 cuboctahedra, corners with fourteen CdMg5Cd7 cuboctahedra, edges with six CdMg5Cd7 cuboctahedra, edges with ten equivalent MgCd10 cuboctahedra, faces with four equivalent MgCd10 cuboctahedra, and faces with fourteen CdMg5Cd7 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.07–3.17 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with seven equivalent MgCd10 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with three equivalent MgCd10 cuboctahedra, edges with fourteen CdMg5Cd7 cuboctahedra, faces with seven equivalent MgCd10 cuboctahedra, and faces with twelve CdMg5Cd7 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.06–3.27 Å. In the second Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with seven equivalent MgCd10 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with three equivalent MgCd10 cuboctahedra, edges with fourteen CdMg5Cd7 cuboctahedra, faces with seven equivalent MgCd10 cuboctahedra, and faces with twelve CdMg5Cd7 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.10–3.27 Å. In the third Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with seven equivalent MgCd10 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with three equivalent MgCd10 cuboctahedra, edges with fourteen CdMg5Cd7 cuboctahedra, faces with seven equivalent MgCd10 cuboctahedra, and faces with twelve CdMg5Cd7 cuboctahedra. The Cd–Cd bond length is 3.20 Å. In the fourth Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with seven equivalent MgCd10 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with three equivalent MgCd10 cuboctahedra, edges with fourteen CdMg5Cd7 cuboctahedra, faces with seven equivalent MgCd10 cuboctahedra, and faces with twelve CdMg5Cd7 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.27 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten Cd atoms to form distorted MgMg2Cd10 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with eight equivalent MgMg2Cd10 cuboctahedra, edges with ten CdMg6Cd6 cuboctahedra, faces with six equivalent MgMg2Cd10 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. Both Mg–Mg bond lengths are 3.22 Å. There are a spread of Mg–Cd bond distances ranging from 3.11–3.14 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Mg and six Cd atoms to form distorted CdMg6Cd6 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with seven equivalent MgMg2Cd10 cuboctahedra, edges with eleven equivalent CdMg4Cd8 cuboctahedra, faces with six equivalent MgMg2Cd10 cuboctahedra, and faces with fourteen CdMg6Cd6 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.10–3.22 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with six equivalent MgMg2Cd10 cuboctahedra, corners with twelve CdMg6Cd6 cuboctahedra, edges with three equivalent MgMg2Cd10 cuboctahedra, edges with fifteen CdMg6Cd6 cuboctahedra, faces with eight equivalent MgMg2Cd10 cuboctahedra, and faces with twelve CdMg6Cd6 cuboctahedra. There are four shorter (3.14 Å) and two longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six Cd atoms to form MgMg6Cd6 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve CdMg3Cd9 cuboctahedra, faces with seven MgMg6Cd6 cuboctahedra, and faces with thirteen CdCd12 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. There are three shorter (3.19 Å) and three longer (3.21 Å) Mg–Cd bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six Cd atoms to form MgMg6Cd6 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve CdMg3Cd9 cuboctahedra, faces with seven MgMg6Cd6 cuboctahedra, and faces with thirteen CdCd12 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. There are three shorter (3.19 Å) and three longer (3.21 Å) Mg–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve MgMg6Cd6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two MgMg6Cd6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.25 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with eighteen CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, faces with six equivalent MgMg6Cd6 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.12 Å. In the third Cd site, Cd is bonded to six Mg and six equivalent Cd atoms to form CdMg6Cd6 cuboctahedra that share corners with eighteen CdMg3Cd9 cuboctahedra, edges with six equivalent CdMg6Cd6 cuboctahedra, edges with twelve MgMg6Cd6 cuboctahedra, faces with eight CdMg3Cd9 cuboctahedra, and faces with twelve MgMg6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Cd atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent MgMg9Cd3 cuboctahedra, corners with twelve CdCd12 cuboctahedra, edges with six equivalent CdMg3Cd9 cuboctahedra, edges with twelve equivalent MgMg9Cd3 cuboctahedra, faces with eight CdCd12 cuboctahedra, and faces with twelve equivalent MgMg9Cd3 cuboctahedra. There are six shorter (3.12 Å) and three longer (3.26 Å) Mg–Mg bond lengths. All Mg–Cd bond lengths are 3.20 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent MgMg9Cd3 cuboctahedra, corners with twelve CdCd12 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, a faceface with one MgMg9Cd3 cuboctahedra, and faces with nineteen CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.25 Å. In the second Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgMg9Cd3 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg9Cd3 cuboctahedra, edges with twelve CdCd12 cuboctahedra, faces with seven equivalent MgMg9Cd3 cuboctahedra, and faces with thirteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.12 Å. In the third Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent MgMg9Cd3 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, a faceface with one MgMg9Cd3 cuboctahedra, and faces with nineteen CdCd12 cuboctahedra. There are six shorter (3.12 Å) and three longer (3.25 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Cd atoms to form distorted MgMg4Cd8 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg4Cd8 cuboctahedra, edges with twelve CdMg3Cd9 cuboctahedra, faces with five equivalent MgMg4Cd8 cuboctahedra, and faces with fifteen CdMg3Cd9 cuboctahedra. There are two shorter (3.20 Å) and two longer (3.23 Å) Mg–Mg bond lengths. There are a spread of Mg–Cd bond distances ranging from 3.04–3.22 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to three equivalent Mg and nine Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with seven equivalent MgMg4Cd8 cuboctahedra, edges with eleven CdMg3Cd9 cuboctahedra, faces with seven equivalent MgMg4Cd8 cuboctahedra, and faces with thirteen CdMg3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.13–3.21 Å. In the second Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with six equivalent MgMg4Cd8 cuboctahedra, corners with twelve CdMg3Cd9 cuboctahedra, edges with five equivalent MgMg4Cd8 cuboctahedra, edges with thirteen CdMg3Cd9 cuboctahedra, faces with eight equivalent MgMg4Cd8 cuboctahedra, and faces with twelve CdMg3Cd9 cuboctahedra. There are one shorter (3.14 Å) and two longer (3.20 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Cd atoms to form MgMg6Cd6 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with six equivalent MgMg6Cd6 cuboctahedra, and faces with fourteen equivalent CdMg3Cd9 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. All Mg–Cd bond lengths are 3.17 Å. Cd is bonded to three equivalent Mg and nine equivalent Cd atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent MgMg6Cd6 cuboctahedra, corners with twelve equivalent CdMg3Cd9 cuboctahedra, edges with six equivalent MgMg6Cd6 cuboctahedra, edges with twelve equivalent CdMg3Cd9 cuboctahedra, faces with seven equivalent MgMg6Cd6 cuboctahedra, and faces with thirteen equivalent CdMg3Cd9 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCd2 by Materials Project

MgCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Cd atoms to form distorted MgMg3Cd9 cuboctahedra that share corners with six equivalent MgMg3Cd9 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with four equivalent MgMg3Cd9 cuboctahedra, edges with fourteen CdMg5Cd7 cuboctahedra, faces with six equivalent MgMg3Cd9 cuboctahedra, and faces with fourteen CdMg5Cd7 cuboctahedra. There are one shorter (3.13 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Cd bond distances ranging from 3.10–3.19 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to five equivalent Mg and seven Cd atoms to form distorted CdMg5Cd7 cuboctahedra that share corners with six equivalent MgMg3Cd9 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with five equivalent MgMg3Cd9 cuboctahedra, edges with thirteen CdMg5Cd7 cuboctahedra, faces with eight equivalent MgMg3Cd9 cuboctahedra, and faces with twelve CdMg5Cd7 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.12–3.19 Å. In the second Cd site, Cd is bonded to four equivalent Mg and eight Cd atoms to form distorted CdMg4Cd8 cuboctahedra that share corners with six equivalent MgMg3Cd9 cuboctahedra, corners with twelve CdMg5Cd7 cuboctahedra, edges with nine equivalent MgMg3Cd9 cuboctahedra, edges with nine CdMg5Cd7 cuboctahedra, faces with six equivalent MgMg3Cd9 cuboctahedra, and faces with fourteen CdMg5Cd7 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.11–3.21 Å.

36 MATERIALS SCIENCE↗