Materials Data on Na3Eu2(GeS4)2 by Materials Project
Na3Eu2(GeS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to one Eu+2.50+ and five S2- atoms. The Na–Eu bond length is 2.69 Å. There are a spread of Na–S bond distances ranging from 2.53–3.28 Å. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to two S2- atoms. There are one shorter (3.49 Å) and one longer (3.53 Å) Na–S bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to three S2- atoms. There are a spread of Na–S bond distances ranging from 2.05–3.34 Å. In the fourth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Ge4+ and two S2- atoms. The Na–Ge bond length is 2.04 Å. There are one shorter (2.78 Å) and one longer (3.20 Å) Na–S bond lengths. In the fifth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to two Na1+ and three S2- atoms. There are one shorter (2.54 Å) and one longer (2.74 Å) Na–Na bond lengths. There are a spread of Na–S bond distances ranging from 3.50–3.61 Å. In the sixth Na1+ site, Na1+ is bonded in a distorted bent 150 degrees geometry to two S2- atoms. There are one shorter (1.85 Å) and one longer (2.45 Å) Na–S bond lengths. In the seventh Na1+ site, Na1+ is bonded in a 1-coordinate geometry to two S2- atoms. There are one shorter (2.54 Å) and one longer (3.23 Å) Na–S bond lengths. In the eighth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Na1+ and four S2- atoms. There are a spread of Na–S bond distances ranging from 2.46–2.98 Å. In the ninth Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one Na1+ and three S2- atoms. There are a spread of Na–S bond distances ranging from 1.96–3.42 Å. There are six inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a distorted single-bond geometry to one S2- atom. The Eu–S bond length is 2.00 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a distorted L-shaped geometry to one Na1+ and two S2- atoms. Both Eu–S bond lengths are 2.31 Å. In the third Eu+2.50+ site, Eu+2.50+ is bonded in a distorted single-bond geometry to four S2- atoms. There are a spread of Eu–S bond distances ranging from 2.04–3.42 Å. In the fourth Eu+2.50+ site, Eu+2.50+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Eu–S bond distances ranging from 2.47–3.15 Å. In the fifth Eu+2.50+ site, Eu+2.50+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Eu–S bond distances ranging from 2.15–2.91 Å. In the sixth Eu+2.50+ site, Eu+2.50+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Eu–S bond distances ranging from 2.64–3.45 Å. There are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted water-like geometry to two S2- atoms. There is one shorter (1.26 Å) and one longer (2.16 Å) Ge–S bond length. In the second Ge4+ site, Ge4+ is bonded in a 2-coordinate geometry to one Na1+ and three S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.89 Å. In the third Ge4+ site, Ge4+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ge–S bond distances ranging from 2.02–2.49 Å. In the fourth Ge4+ site, Ge4+ is bonded in a distorted single-bond geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 1.60–2.75 Å. In the fifth Ge4+ site, Ge4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There are one shorter (2.21 Å) and one longer (2.50 Å) Ge–S bond lengths. In the sixth Ge4+ site, Ge4+ is bonded in a distorted L-shaped geometry to two S2- atoms. There is one shorter (1.68 Å) and one longer (1.72 Å) Ge–S bond length. There are twenty-four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Na1+, one Ge4+, and two S2- atoms. There are one shorter (2.42 Å) and one longer (2.44 Å) S–S bond lengths. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two Na1+, one Ge4+, and one S2- atom. The S–S bond length is 2.50 Å. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two Na1+, one Ge4+, and two S2- atoms. There are one shorter (2.06 Å) and one longer (2.61 Å) S–S bond lengths. In the fifth S2- site, S2- is bonded in a single-bond geometry to two Na1+ atoms. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the seventh S2- site, S2- is bonded in a distorted linear geometry to one Na1+ and one Eu+2.50+ atom. In the eighth S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, two Ge4+, and one S2- atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one S2- atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the twelfth S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+ and one S2- atom. In the thirteenth S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, one Eu+2.50+, and one S2- atom. In the fourteenth S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Na1+ and one Ge4+ atom. In the fifteenth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the sixteenth S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, one Eu+2.50+, and one Ge4+ atom. In the seventeenth S2- site, S2- is bonded in a distorted single-bond geometry to two Na1+, one Ge4+, and one S2- atom. In the eighteenth S2- site, S2- is bonded in a 4-coordinate geometry to one Na1+, two Eu+2.50+, and one S2- atom. The S–S bond length is 2.15 Å. In the nineteenth S2- site, S2- is bonded in a single-bond geometry to one Ge4+ atom. In the twentieth S2- site, S2- is bonded in a distorted single-bond geometry to one Eu+2.50+ atom. In the twenty-first S2- site, S2- is bonded in a 1-coordinate geometry to two Eu+2.50+ and one S2- atom. In the twenty-second S2- site, S2- is bonded in a 3-coordinate geometry to one Na1+ and two Eu+2.50+ atoms. In the twenty-third S2- site, S2- is bonded in a distorted single-bond geometry to one Eu+2.50+ atom. In the twenty-fourth S2- site, S2- is bonded in a 1-coordinate geometry to one Eu+2.50+ and one Ge4+ atom.
- 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:
- 1700030
- Report Number(s):
- mp-1221587
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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