Materials Data on V17Ge31 by Materials Project

Dataset · Sun Oct 06 04:00:00 EDT 2013

DOI:https://doi.org/10.17188/1283615· OSTI ID:1283615

V17Ge31 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are eighteen inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.54–2.66 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.52–2.72 Å. In the third V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.55–2.65 Å. In the fourth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.52–2.74 Å. In the fifth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.51–2.75 Å. In the sixth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.51–2.79 Å. In the seventh V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.50–2.82 Å. In the eighth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.50–2.85 Å. In the ninth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.53–2.68 Å. In the tenth V site, V is bonded in a 10-coordinate geometry to six Ge atoms. There are four shorter (2.50 Å) and two longer (2.77 Å) V–Ge bond lengths. In the eleventh V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.54–2.66 Å. In the twelfth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.57–2.64 Å. In the thirteenth V site, V is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.50–2.76 Å. In the fourteenth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.52–2.70 Å. In the fifteenth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.50–2.90 Å. In the sixteenth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.57 Å) and four longer (2.63 Å) V–Ge bond lengths. In the seventeenth V site, V is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of V–Ge bond distances ranging from 2.53–2.69 Å. In the eighteenth V site, V is bonded in a 10-coordinate geometry to six Ge atoms. There are four shorter (2.50 Å) and two longer (2.77 Å) V–Ge bond lengths. There are sixteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five V atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to four V atoms. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the seventh Ge site, Ge is bonded in a 2-coordinate geometry to five V atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to five V atoms. In the tenth Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the eleventh Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the twelfth Ge site, Ge is bonded in a 4-coordinate geometry to four V atoms. In the thirteenth Ge site, Ge is bonded in a 2-coordinate geometry to four V atoms. In the fourteenth Ge site, Ge is bonded in a 2-coordinate geometry to five V atoms. In the fifteenth Ge site, Ge is bonded in a 2-coordinate geometry to four V atoms. In the sixteenth Ge site, Ge is bonded in a 4-coordinate geometry to four V 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: 1283615
• Report Number(s): mp-680383
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-V
V17Ge31
crystal structure