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Title: Materials Data on La2Ni4GeP3 by Materials Project

Abstract

La2Ni4GeP3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Ni, four equivalent Ge, and four equivalent P atoms. There are four shorter (3.14 Å) and four longer (3.32 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.15 Å. All La–P bond lengths are 3.11 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight Ni and eight P atoms. There are four shorter (3.12 Å) and four longer (3.13 Å) La–Ni bond lengths. There are four shorter (3.11 Å) and four longer (3.14 Å) La–P bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four La, two equivalent Ge, and two equivalent P atoms. Both Ni–Ge bond lengths are 2.39 Å. Both Ni–P bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four La and four P atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. Ge is bonded in a 9-coordinate geometry tomore » four equivalent La, four equivalent Ni, and one P atom. The Ge–P bond length is 2.58 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The P–P bond length is 2.58 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom.« less

Publication Date:
Other Number(s):
mp-1223427
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La2Ni4GeP3; Ge-La-Ni-P
OSTI Identifier:
1748959
DOI:
https://doi.org/10.17188/1748959

Citation Formats

The Materials Project. Materials Data on La2Ni4GeP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748959.
The Materials Project. Materials Data on La2Ni4GeP3 by Materials Project. United States. doi:https://doi.org/10.17188/1748959
The Materials Project. 2020. "Materials Data on La2Ni4GeP3 by Materials Project". United States. doi:https://doi.org/10.17188/1748959. https://www.osti.gov/servlets/purl/1748959. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748959,
title = {Materials Data on La2Ni4GeP3 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Ni4GeP3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Ni, four equivalent Ge, and four equivalent P atoms. There are four shorter (3.14 Å) and four longer (3.32 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.15 Å. All La–P bond lengths are 3.11 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight Ni and eight P atoms. There are four shorter (3.12 Å) and four longer (3.13 Å) La–Ni bond lengths. There are four shorter (3.11 Å) and four longer (3.14 Å) La–P bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four La, two equivalent Ge, and two equivalent P atoms. Both Ni–Ge bond lengths are 2.39 Å. Both Ni–P bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four La and four P atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The Ge–P bond length is 2.58 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The P–P bond length is 2.58 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom.},
doi = {10.17188/1748959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}