Materials Data on Sm3VGeO9 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1704899· OSTI ID:1704899

Sm3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.65 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.77 Å. In the third Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one SmO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Sm–O bond distances ranging from 2.30–2.58 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one SmO7 pentagonal bipyramid and an edgeedge with one SmO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent SmO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one V5+ atom. In the third O2- site, O2- is bonded to four Sm3+ atoms to form OSm4 tetrahedra that share corners with two equivalent OSm3Ge tetrahedra and edges with two OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to three Sm3+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSm3Ge tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one V5+ 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: 1704899
• Report Number(s): mp-1209262
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-O-Sm-V
Sm3VGeO9
crystal structure