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Title: Materials Data on K3Al3Si3O16 by Materials Project

Abstract

K3Al3Si3O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.71–3.20 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.37 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.71–3.30 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.00 Å. In the fifth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–3.28 Å. In the sixth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are six inequivalent Al sites. In the first Al site, Al is bondedmore » to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. In the second Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the third Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Al–O bond length. In the fourth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. In the fifth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. In the sixth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the fifth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the sixth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the seventeenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the nineteenth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the twenty-first O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-second O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-third O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-fourth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-fifth O site, O is bonded in a trigonal non-coplanar geometry to three K atoms. In the twenty-sixth O site, O is bonded in a 2-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the twenty-seventh O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the twenty-eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the twenty-ninth O site, O is bonded in a trigonal non-coplanar geometry to three K atoms. In the thirtieth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.31 Å. In the thirty-first O site, O is bonded in a 3-coordinate geometry to two K and one O atom. In the thirty-second O site, O is bonded in a trigonal non-coplanar geometry to two K and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1181028
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; K3Al3Si3O16; Al-K-O-Si
OSTI Identifier:
1689050
DOI:
https://doi.org/10.17188/1689050

Citation Formats

The Materials Project. Materials Data on K3Al3Si3O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689050.
The Materials Project. Materials Data on K3Al3Si3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1689050
The Materials Project. 2020. "Materials Data on K3Al3Si3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1689050. https://www.osti.gov/servlets/purl/1689050. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689050,
title = {Materials Data on K3Al3Si3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Al3Si3O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.71–3.20 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.37 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.71–3.30 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.00 Å. In the fifth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.70–3.28 Å. In the sixth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. In the second Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. In the third Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Al–O bond length. In the fourth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. In the fifth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. In the sixth Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the fifth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the sixth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the thirteenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the seventeenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the nineteenth O site, O is bonded in a bent 150 degrees geometry to one K, one Al, and one Si atom. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the twenty-first O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-second O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-third O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-fourth O site, O is bonded in a distorted bent 150 degrees geometry to two K, one Al, and one Si atom. In the twenty-fifth O site, O is bonded in a trigonal non-coplanar geometry to three K atoms. In the twenty-sixth O site, O is bonded in a 2-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the twenty-seventh O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.30 Å. In the twenty-eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.30 Å. In the twenty-ninth O site, O is bonded in a trigonal non-coplanar geometry to three K atoms. In the thirtieth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.31 Å. In the thirty-first O site, O is bonded in a 3-coordinate geometry to two K and one O atom. In the thirty-second O site, O is bonded in a trigonal non-coplanar geometry to two K and one O atom.},
doi = {10.17188/1689050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}