Materials Data on Eu2ZnP2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1725622· OSTI ID:1725622

Eu2ZnP2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to five P3- atoms to form EuP5 trigonal bipyramids that share corners with four equivalent ZnP4 tetrahedra, corners with eleven EuP5 trigonal bipyramids, edges with three equivalent ZnP4 tetrahedra, and edges with four EuP5 trigonal bipyramids. There are a spread of Eu–P bond distances ranging from 2.93–3.09 Å. In the second Eu2+ site, Eu2+ is bonded to five P3- atoms to form distorted EuP5 trigonal bipyramids that share corners with two equivalent ZnP4 tetrahedra, corners with eleven EuP5 trigonal bipyramids, edges with four equivalent ZnP4 tetrahedra, and edges with six EuP5 trigonal bipyramids. There are a spread of Eu–P bond distances ranging from 2.87–3.02 Å. Zn2+ is bonded to four P3- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra, corners with six EuP5 trigonal bipyramids, and edges with seven EuP5 trigonal bipyramids. There are a spread of Zn–P bond distances ranging from 2.44–2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to six Eu2+ and two equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to four Eu2+ and two equivalent Zn2+ 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: 1725622
• Report Number(s): mp-1078980
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-P-Zn
Eu2ZnP2
crystal structure