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Materials Data on Eu(ZnSn)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189405· OSTI ID:1189405
EuZn2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight Zn and eight Sn atoms. There are four shorter (3.54 Å) and four longer (3.61 Å) Eu–Zn bond lengths. There are four shorter (3.51 Å) and four longer (3.72 Å) Eu–Sn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Eu and four equivalent Sn atoms to form distorted ZnEu4Sn4 tetrahedra that share corners with twelve equivalent SnEu4Zn4 tetrahedra, edges with two equivalent SnEu4Zn4 tetrahedra, edges with four equivalent ZnEu4Sn4 tetrahedra, and faces with four equivalent ZnEu4Sn4 tetrahedra. All Zn–Sn bond lengths are 2.76 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Eu and five Sn atoms. There are one shorter (2.60 Å) and four longer (2.80 Å) Zn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Eu and four equivalent Zn atoms to form distorted SnEu4Zn4 tetrahedra that share corners with twelve equivalent ZnEu4Sn4 tetrahedra, edges with two equivalent ZnEu4Sn4 tetrahedra, edges with four equivalent SnEu4Zn4 tetrahedra, and faces with four equivalent SnEu4Zn4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Eu and five Zn atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1189405
Report Number(s):
mp-13135
Country of Publication:
United States
Language:
English

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