Materials Data on Pr2Mn3CoGe4 by Materials Project

Dataset · Fri Jun 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1743215· OSTI ID:1743215

Pr2Mn3CoGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to six Mn, two equivalent Co, and eight Ge atoms. There are two shorter (3.38 Å) and four longer (3.41 Å) Pr–Mn bond lengths. Both Pr–Co bond lengths are 3.38 Å. There are four shorter (3.18 Å) and four longer (3.19 Å) Pr–Ge bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with eight equivalent CoPr4Mn4Ge4 cuboctahedra, corners with four equivalent MnPr4Co4Ge4 tetrahedra, edges with six MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. In the second Mn site, Mn is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ge atoms to form distorted MnPr4Co4Ge4 tetrahedra that share corners with sixteen MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Mn–Co bond lengths are 2.87 Å. All Mn–Ge bond lengths are 2.43 Å. In the third Mn site, Mn is bonded to four equivalent Pr and four equivalent Ge atoms to form MnPr4Ge4 tetrahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with eight equivalent MnPr4Co4Ge4 tetrahedra, edges with two equivalent CoPr4Mn4Ge4 cuboctahedra, edges with four equivalent MnPr4Ge4 tetrahedra, and faces with four equivalent MnPr4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.45 Å. Co is bonded to four equivalent Pr, four equivalent Mn, and four equivalent Ge atoms to form distorted CoPr4Mn4Ge4 cuboctahedra that share corners with four equivalent CoPr4Mn4Ge4 cuboctahedra, corners with twelve MnPr4Ge4 tetrahedra, edges with two equivalent MnPr4Ge4 tetrahedra, faces with four equivalent CoPr4Mn4Ge4 cuboctahedra, and faces with four equivalent MnPr4Co4Ge4 tetrahedra. All Co–Ge bond lengths are 2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, two equivalent Mn, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four Mn, and one Ge atom.

• 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: 1743215
• Report Number(s): mp-1220027
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ge-Mn-Pr
Pr2Mn3CoGe4
crystal structure