Materials Data on K4Eu(PS4)2 by Materials Project
K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.52 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.56 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.30–3.85 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.53 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.87 Å. In the seventh K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.83 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.53 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.11–3.16 Å. In the second Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.08–3.17 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the third P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the tenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the sixteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ 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:
- 1281709
- Report Number(s):
- mp-669560
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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