Materials Data on Er6Ge11 by Materials Project
Er6Ge11 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.01–3.55 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.00–3.55 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.04–3.21 Å. In the fourth Er site, Er is bonded in a 12-coordinate geometry to twelve Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.03–3.58 Å. In the fifth Er site, Er is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.97–3.25 Å. In the sixth Er site, Er is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.97–3.21 Å. In the seventh Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.08 Å. In the eighth Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.06 Å. In the ninth Er site, Er is bonded in a distorted q6 geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.90–3.02 Å. In the tenth Er site, Er is bonded in a distorted q6 geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.90–3.01 Å. In the eleventh Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.14 Å. In the twelfth Er site, Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.16 Å. There are twenty-two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.61 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.65 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. There are one shorter (2.61 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and two equivalent Ge atoms. There are one shorter (2.62 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. The Ge–Ge bond length is 2.40 Å. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to six Er and two equivalent Ge atoms. In the ninth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and two equivalent Ge atoms. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. The Ge–Ge bond length is 2.52 Å. In the eleventh Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. The Ge–Ge bond length is 2.54 Å. In the twelfth Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. The Ge–Ge bond length is 2.40 Å. In the thirteenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the fourteenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. There are two shorter (2.84 Å) and two longer (2.92 Å) Ge–Ge bond lengths. In the fifteenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. There are two shorter (2.86 Å) and two longer (2.90 Å) Ge–Ge bond lengths. In the sixteenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. In the seventeenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. In the eighteenth Ge site, Ge is bonded in a 8-coordinate geometry to four Er and four equivalent Ge atoms. In the nineteenth Ge site, Ge is bonded in a 7-coordinate geometry to six Er and one Ge atom. In the twentieth Ge site, Ge is bonded in a 4-coordinate geometry to six Er and one Ge atom. In the twenty-first Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. Both Ge–Ge bond lengths are 2.37 Å. In the twenty-second Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1706853
- Report Number(s):
- mp-1226590
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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