Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Al-Ca-O-Si-W”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaAl2Si2(WO2)4 by Materials Project

WCaW3Al2Si2O8 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of four tungsten molecules and one CaW3Al2Si2O8 framework. In the CaW3Al2Si2O8 framework, there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.48 Å. In the second Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.39 Å) and one longer (2.70 Å) Ca–O bond lengths. There are six inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.30 Å. In the second W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.28 Å. In the third W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.37 Å. In the fourth W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.41 Å. In the fifth W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.29 Å. In the sixth W2+ site, W2+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.30 Å. There are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is three shorter (1.78 Å) and one longer (1.79 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.82 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.79 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.82 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si site, Si is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the third Si site, Si is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the fourth Si site, Si is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ca2+, one Al3+, and one Si atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one W2+, one Al3+, and one Si atom. In the third O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W2+, one Al3+, and one Si atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one W2+, one Al3+, and one Si atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one W2+, one Al3+, and one Si atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Al3+, and one Si atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Al3+, and one Si atom. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Ca2+, one Al3+, and one Si atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one W2+, one Al3+, and one Si atom. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to one W2+, one Al3+, and one Si atom. In the fifteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ca2+, one Al3+, and one Si atom. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Al3+, and one Si atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaAl2Si3W3O10 by Materials Project

WCaAl2Si3(WO5)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four tungsten molecules and one CaAl2Si3(WO5)2 framework. In the CaAl2Si3(WO5)2 framework, Ca2+ is bonded in a distorted water-like geometry to two O2- atoms. There are one shorter (2.36 Å) and one longer (2.38 Å) Ca–O bond lengths. There are two inequivalent W+2.67+ sites. In the first W+2.67+ site, W+2.67+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.58 Å) and one longer (2.67 Å) W–O bond lengths. In the second W+2.67+ site, W+2.67+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.48 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.79 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.72–1.81 Å. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the second Si+1.33+ site, Si+1.33+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two AlO4 tetrahedra and corners with two SiO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. In the third Si+1.33+ site, Si+1.33+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si+1.33+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Si+1.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W+2.67+, one Al3+, and one Si+1.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W+2.67+, one Al3+, and one Si+1.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one W+2.67+, one Al3+, and one Si+1.33+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Al3+, and one Si+1.33+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si+1.33+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si+1.33+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si+1.33+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Al3+, and one Si+1.33+ atom.

36 MATERIALS SCIENCE↗