10.17188/1199920
None Available
Materials Data on LiP5 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
LiP5
Li-P
The Materials Project
2020
en
LiP5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six P+0.20- atoms. There are a spread of Li–P bond distances ranging from 2.54–3.14 Å. There are five inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.23 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fifth P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two P+0.20- atoms.