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Title: Materials Data on Na3AlSiTe4 by Materials Project

Abstract

Na3AlSiTe4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five Te+0.50- atoms to form distorted NaTe5 square pyramids that share corners with four equivalent AlTe4 tetrahedra, edges with two equivalent NaTe5 square pyramids, and an edgeedge with one AlTe4 tetrahedra. There are a spread of Na–Te bond distances ranging from 3.10–3.76 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four Te+0.50- atoms. There are a spread of Na–Te bond distances ranging from 3.01–3.11 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four Te+0.50- atoms. There are a spread of Na–Te bond distances ranging from 3.01–3.72 Å. Al3+ is bonded to four Te+0.50- atoms to form distorted AlTe4 tetrahedra that share corners with four equivalent NaTe5 square pyramids, corners with two equivalent AlTe4 tetrahedra, and an edgeedge with one NaTe5 square pyramid. There are a spread of Al–Te bond distances ranging from 2.60–2.82 Å. Si4- is bonded in a rectangular see-saw-like geometry to four Te+0.50- atoms. There are a spread of Si–Te bond distances ranging from 2.68–3.00 Å. Theremore » are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one Si4- atom. In the second Te+0.50- site, Te+0.50- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Al3+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Si4- atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 6-coordinate geometry to four Na1+, one Al3+, and one Si4- atom.« less

Publication Date:
Other Number(s):
mp-1221314
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; Na3AlSiTe4; Al-Na-Si-Te
OSTI Identifier:
1655782
DOI:
https://doi.org/10.17188/1655782

Citation Formats

The Materials Project. Materials Data on Na3AlSiTe4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655782.
The Materials Project. Materials Data on Na3AlSiTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1655782
The Materials Project. 2019. "Materials Data on Na3AlSiTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1655782. https://www.osti.gov/servlets/purl/1655782. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655782,
title = {Materials Data on Na3AlSiTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3AlSiTe4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five Te+0.50- atoms to form distorted NaTe5 square pyramids that share corners with four equivalent AlTe4 tetrahedra, edges with two equivalent NaTe5 square pyramids, and an edgeedge with one AlTe4 tetrahedra. There are a spread of Na–Te bond distances ranging from 3.10–3.76 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four Te+0.50- atoms. There are a spread of Na–Te bond distances ranging from 3.01–3.11 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four Te+0.50- atoms. There are a spread of Na–Te bond distances ranging from 3.01–3.72 Å. Al3+ is bonded to four Te+0.50- atoms to form distorted AlTe4 tetrahedra that share corners with four equivalent NaTe5 square pyramids, corners with two equivalent AlTe4 tetrahedra, and an edgeedge with one NaTe5 square pyramid. There are a spread of Al–Te bond distances ranging from 2.60–2.82 Å. Si4- is bonded in a rectangular see-saw-like geometry to four Te+0.50- atoms. There are a spread of Si–Te bond distances ranging from 2.68–3.00 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one Si4- atom. In the second Te+0.50- site, Te+0.50- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Al3+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Si4- atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 6-coordinate geometry to four Na1+, one Al3+, and one Si4- atom.},
doi = {10.17188/1655782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}