Materials Data on BeF2 by Materials Project
BeF2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.59 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. In the third Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.46–1.50 Å. In the fourth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.46–1.63 Å. In the fifth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.46–1.63 Å. In the sixth Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.46–1.50 Å. In the seventh Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. In the eighth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.59 Å. In the ninth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.46–1.64 Å. In the tenth Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.46–1.51 Å. In the eleventh Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. In the twelfth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.60 Å. In the thirteenth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.60 Å. In the fourteenth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. In the fifteenth Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.47–1.50 Å. In the sixteenth Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.45–1.63 Å. There are thirty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the twelfth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Be2+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the eighteenth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twentieth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the twenty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twenty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twenty-third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Be2+ atoms. In the twenty-fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twenty-fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Be2+ atoms. In the twenty-sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twenty-seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the twenty-eighth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the twenty-ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the thirtieth F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the thirty-first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the thirty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ 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:
- 1284120
- Report Number(s):
- mp-685168
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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