Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Zn”

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.

At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zn3Cu by Materials Project

CuZn3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cu is bonded in a 4-coordinate geometry to four equivalent Zn atoms. All Cu–Zn bond lengths are 2.52 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Cu and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.71 Å. In the second Zn site, Zn is bonded in a distorted body-centered cubic geometry to eight Zn atoms. All Zn–Zn bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrZn2Ge by Materials Project

ZrZn2Ge crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to eight Zn and four equivalent Ge atoms to form ZrZn8Ge4 cuboctahedra that share corners with eight equivalent ZrZn8Ge4 cuboctahedra, edges with four equivalent ZrZn8Ge4 cuboctahedra, edges with eight equivalent ZnZr4Zn8 cuboctahedra, faces with four equivalent ZnZr4Zn8 cuboctahedra, and faces with five equivalent ZrZn8Ge4 cuboctahedra. There are four shorter (2.85 Å) and four longer (2.95 Å) Zr–Zn bond lengths. All Zr–Ge bond lengths are 2.92 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Zr and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.70 Å. In the second Zn site, Zn is bonded to four equivalent Zr and eight Zn atoms to form ZnZr4Zn8 cuboctahedra that share corners with four equivalent ZnZr4Zn8 cuboctahedra, edges with eight equivalent ZrZn8Ge4 cuboctahedra, faces with four equivalent ZrZn8Ge4 cuboctahedra, and faces with eight equivalent ZnZr4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.83 Å. Ge is bonded in a 12-coordinate geometry to four equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr4Zn3Si5 by Materials Project

Sr4Zn3Si5 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to three equivalent Zn and nine Si atoms to form a mixture of face and edge-sharing SrZn3Si9 cuboctahedra. All Sr–Zn bond lengths are 3.33 Å. There are three shorter (3.36 Å) and six longer (3.38 Å) Sr–Si bond lengths. In the second Sr site, Sr is bonded to six Zn and six Si atoms to form a mixture of face and edge-sharing SrZn6Si6 cuboctahedra. There are three shorter (3.36 Å) and three longer (3.37 Å) Sr–Zn bond lengths. There are three shorter (3.35 Å) and three longer (3.36 Å) Sr–Si bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Si atoms. All Zn–Si bond lengths are 2.46 Å. In the second Zn site, Zn is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Si atoms. All Zn–Si bond lengths are 2.46 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a distorted trigonal planar geometry to six Sr and three equivalent Zn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Si atoms. All Si–Si bond lengths are 2.46 Å. In the third Si site, Si is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Zn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaZn2(PO5)2 by Materials Project

CaZn2(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.26–2.94 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.00 Å. In the second Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.01 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ca, one Zn, and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ca, one Zn, and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a trigonal planar geometry to two Zn and one P atom. In the eighth O site, O is bonded in a trigonal planar geometry to two Zn and one P atom. In the ninth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one P atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZn2 by Materials Project

MgZn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten Zn atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent MgMg2Zn10 cuboctahedra, corners with twelve ZnMg6Zn6 cuboctahedra, edges with eight equivalent MgMg2Zn10 cuboctahedra, edges with ten ZnMg6Zn6 cuboctahedra, faces with six equivalent MgMg2Zn10 cuboctahedra, and faces with fourteen ZnMg6Zn6 cuboctahedra. Both Mg–Mg bond lengths are 2.98 Å. There are a spread of Mg–Zn bond distances ranging from 2.84–2.89 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Mg and six Zn atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with six equivalent MgMg2Zn10 cuboctahedra, corners with twelve ZnMg6Zn6 cuboctahedra, edges with seven equivalent MgMg2Zn10 cuboctahedra, edges with eleven equivalent ZnMg4Zn8 cuboctahedra, faces with six equivalent MgMg2Zn10 cuboctahedra, and faces with fourteen ZnMg6Zn6 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.83–2.98 Å. In the second Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent MgMg2Zn10 cuboctahedra, corners with twelve ZnMg6Zn6 cuboctahedra, edges with three equivalent MgMg2Zn10 cuboctahedra, edges with fifteen ZnMg6Zn6 cuboctahedra, faces with eight equivalent MgMg2Zn10 cuboctahedra, and faces with twelve ZnMg6Zn6 cuboctahedra. There are four shorter (2.90 Å) and two longer (2.98 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3(PO6)2 by Materials Project

Zn3(PO6)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to five O atoms. There are three shorter (1.92 Å) and two longer (2.51 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There is two shorter (1.93 Å) and two longer (2.01 Å) Zn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both O–O bond lengths are 1.29 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one P atom. In the sixth O site, O is bonded in an L-shaped geometry to one Zn and one O atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZn2 by Materials Project

MgZn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with twelve ZnMg4Zn8 cuboctahedra, edges with four equivalent MgMg6Zn6 cuboctahedra, edges with fourteen ZnMg4Zn8 cuboctahedra, faces with eight equivalent MgMg6Zn6 cuboctahedra, and faces with twelve ZnMg4Zn8 cuboctahedra. All Mg–Mg bond lengths are 2.97 Å. There are a spread of Mg–Zn bond distances ranging from 2.86–3.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with twelve ZnMg4Zn8 cuboctahedra, edges with three equivalent MgMg6Zn6 cuboctahedra, edges with fifteen ZnMg4Zn8 cuboctahedra, faces with eight equivalent MgMg6Zn6 cuboctahedra, and faces with twelve ZnMg4Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.75–2.97 Å. In the second Zn site, Zn is bonded to two equivalent Mg and ten Zn atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent MgMg6Zn6 cuboctahedra, corners with twelve ZnMg4Zn8 cuboctahedra, edges with seven equivalent ZnMg4Zn8 cuboctahedra, edges with eleven equivalent MgMg6Zn6 cuboctahedra, faces with four equivalent MgMg6Zn6 cuboctahedra, and faces with sixteen ZnMg4Zn8 cuboctahedra. There are two shorter (2.77 Å) and two longer (2.97 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3(PO6)2 by Materials Project

Zn3(PO6)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.92–2.03 Å. In the second Zn site, Zn is bonded in a 5-coordinate geometry to five O atoms. There are three shorter (1.93 Å) and two longer (2.43 Å) Zn–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Zn and one P atom. In the third O site, O is bonded in an L-shaped geometry to one Zn and one O atom. The O–O bond length is 1.29 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the sixth O site, O is bonded in a single-bond geometry to one Zn atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4CeZn5 by Materials Project

CeLa4Zn5 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ce–Zn bond lengths are 3.19 Å. There are two inequivalent La sites. In the first La site, La is bonded in a body-centered cubic geometry to eight Zn atoms. All La–Zn bond lengths are 3.23 Å. In the second La site, La is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (3.21 Å) and four longer (3.22 Å) La–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent La atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight La atoms. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Zn5Ge by Materials Project

Gd3Zn5Ge crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to ten Zn and one Ge atom. There are a spread of Gd–Zn bond distances ranging from 3.01–3.37 Å. The Gd–Ge bond length is 3.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six equivalent Gd, four Zn, and two equivalent Ge atoms. There are two shorter (2.73 Å) and two longer (3.02 Å) Zn–Zn bond lengths. Both Zn–Ge bond lengths are 2.76 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Zn atoms. Ge is bonded in a distorted q6 geometry to three equivalent Gd and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeY4Zn5 by Materials Project

CeY4Zn5 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ce–Zn bond lengths are 3.14 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (3.11 Å) and four longer (3.13 Å) Y–Zn bond lengths. In the second Y site, Y is bonded in a body-centered cubic geometry to eight Zn atoms. There are four shorter (3.12 Å) and four longer (3.13 Å) Y–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Y atoms. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn2Ag by Materials Project

AgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded in a 12-coordinate geometry to four equivalent Ag and twelve Zn atoms. There are three shorter (3.13 Å) and one longer (3.15 Å) Ag–Ag bond lengths. There are three shorter (2.98 Å) and nine longer (3.00 Å) Ag–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ag and six equivalent Zn atoms to form a mixture of edge, corner, and face-sharing ZnZn6Ag6 cuboctahedra. All Zn–Zn bond lengths are 2.58 Å. In the second Zn site, Zn is bonded to six equivalent Ag and six Zn atoms to form a mixture of edge, corner, and face-sharing ZnZn6Ag6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.61 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZn3 by Materials Project

MgZn3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Zn atoms to form MgZn12 cuboctahedra that share corners with four equivalent MgZn12 cuboctahedra, corners with eight equivalent ZnMg4Zn8 cuboctahedra, edges with eight equivalent MgZn12 cuboctahedra, edges with sixteen equivalent ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with fourteen ZnMg4Zn8 cuboctahedra. There are eight shorter (2.83 Å) and four longer (2.91 Å) Mg–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Mg and eight equivalent Zn atoms to form ZnMg4Zn8 cuboctahedra that share corners with four equivalent ZnMg4Zn8 cuboctahedra, corners with eight equivalent MgZn12 cuboctahedra, edges with twenty-four ZnMg4Zn8 cuboctahedra, faces with six equivalent MgZn12 cuboctahedra, and faces with twelve ZnMg4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.83 Å. In the second Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with twelve equivalent ZnMg4Zn8 cuboctahedra, edges with eight equivalent MgZn12 cuboctahedra, edges with sixteen ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with fourteen ZnMg4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnMoO6 by Materials Project

ZnMoO4O2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one ZnMoO4 sheet oriented in the (1, 0, 0) direction. In the ZnMoO4 sheet, there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.73–1.89 Å. In the second Mo site, Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.73–1.89 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.04 Å. In the second Zn site, Zn is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.05 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mo and one Zn atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mo and one Zn atom. In the third O site, O is bonded in a single-bond geometry to one Mo atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Mo and two Zn atoms. In the fifth O site, O is bonded in a linear geometry to one Mo and one Zn atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mo and one Zn atom. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the eighth O site, O is bonded in a trigonal planar geometry to one Mo and two Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZn2 by Materials Project

MgZn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Zn atoms to form distorted MgMg4Zn8 cuboctahedra that share corners with six equivalent MgMg4Zn8 cuboctahedra, corners with twelve ZnMg3Zn9 cuboctahedra, edges with six equivalent MgMg4Zn8 cuboctahedra, edges with twelve ZnMg3Zn9 cuboctahedra, faces with five equivalent MgMg4Zn8 cuboctahedra, and faces with fifteen ZnMg3Zn9 cuboctahedra. There are two shorter (2.94 Å) and two longer (3.07 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.79–2.95 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Mg and nine Zn atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent MgMg4Zn8 cuboctahedra, corners with twelve ZnMg3Zn9 cuboctahedra, edges with seven equivalent MgMg4Zn8 cuboctahedra, edges with eleven ZnMg3Zn9 cuboctahedra, faces with seven equivalent MgMg4Zn8 cuboctahedra, and faces with thirteen ZnMg3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.76–3.02 Å. In the second Zn site, Zn is bonded to five equivalent Mg and seven Zn atoms to form distorted ZnMg5Zn7 cuboctahedra that share corners with six equivalent MgMg4Zn8 cuboctahedra, corners with twelve ZnMg3Zn9 cuboctahedra, edges with five equivalent MgMg4Zn8 cuboctahedra, edges with thirteen ZnMg3Zn9 cuboctahedra, faces with eight equivalent MgMg4Zn8 cuboctahedra, and faces with twelve ZnMg3Zn9 cuboctahedra. There are two shorter (2.94 Å) and one longer (3.04 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Ag by Materials Project

AgZn3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ag is bonded to six equivalent Ag and six equivalent Zn atoms to form distorted AgZn6Ag6 cuboctahedra that share corners with six equivalent AgZn6Ag6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with six equivalent AgZn6Ag6 cuboctahedra, edges with twelve equivalent ZnZn9Ag3 cuboctahedra, faces with six equivalent AgZn6Ag6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Ag–Ag bond lengths are 2.89 Å. All Ag–Zn bond lengths are 2.79 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent AgZn6Ag6 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, faces with two equivalent AgZn6Ag6 cuboctahedra, and faces with eighteen ZnZn12 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.89 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to three equivalent Ag and nine Zn atoms to form distorted ZnZn9Ag3 cuboctahedra that share corners with eighteen equivalent ZnZn9Ag3 cuboctahedra, edges with six equivalent AgZn6Ag6 cuboctahedra, edges with twelve ZnZn12 cuboctahedra, faces with six equivalent AgZn6Ag6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Zn–Zn bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Zn by Materials Project

Mg2Zn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen MgMg9Zn3 cuboctahedra, edges with eight MgMg7Zn5 cuboctahedra, and faces with thirteen MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.13 Å. There are two shorter (2.92 Å) and one longer (3.02 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to seven Mg and five Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.13 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–3.03 Å. In the third Mg site, Mg is bonded to eight Mg and four Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Zn4 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.82–3.09 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent MgMg8Zn4 cuboctahedra, edges with twelve MgMg9Zn3 cuboctahedra, and faces with fourteen MgMg9Zn3 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Mg–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to eight Mg atoms. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCaZn2 by Materials Project

SrCaZn2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.32–3.37 Å. Ca is bonded in a 7-coordinate geometry to seven Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.21–3.54 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Sr, three equivalent Ca, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.63 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sr, four equivalent Ca, and two equivalent Zn atoms.

36 MATERIALS SCIENCE↗