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Title: Materials Data on La4Al6O15 by Materials Project

Abstract

La4Al6O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.91 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.98 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.95 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.96 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.99 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.96 Å. In the seventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eightmore » O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.97 Å. In the eighth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.92 Å. There are twelve inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the fifth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. In the sixth Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the seventh Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the eighth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. In the ninth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the tenth Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the eleventh Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the twelfth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-771838
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La4Al6O15; Al-La-O
OSTI Identifier:
1300879
DOI:
https://doi.org/10.17188/1300879

Citation Formats

The Materials Project. Materials Data on La4Al6O15 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1300879.
The Materials Project. Materials Data on La4Al6O15 by Materials Project. United States. doi:https://doi.org/10.17188/1300879
The Materials Project. 2018. "Materials Data on La4Al6O15 by Materials Project". United States. doi:https://doi.org/10.17188/1300879. https://www.osti.gov/servlets/purl/1300879. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1300879,
title = {Materials Data on La4Al6O15 by Materials Project},
author = {The Materials Project},
abstractNote = {La4Al6O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.91 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.98 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.95 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.96 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.99 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.96 Å. In the seventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.97 Å. In the eighth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.92 Å. There are twelve inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the fifth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. In the sixth Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the seventh Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the eighth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. In the ninth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the tenth Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the eleventh Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the twelfth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 3-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms.},
doi = {10.17188/1300879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}