Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K-O-Sb-Se”

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 K6Sb14Se6O25 by Materials Project

K6Sb12O25(SbSe3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two SbSe3 clusters and one K6Sb12O25 ribbon oriented in the (1, 0, 0) direction. In each SbSe3 cluster, Sb4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. All Sb–Se bond lengths are 2.54 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Sb4+ atom. In the second Se2- site, Se2- is bonded in a single-bond geometry to one Sb4+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to one Sb4+ atom. In the K6Sb12O25 ribbon, there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.42 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.41 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.42 Å. There are four inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Sb–O bond lengths are 1.99 Å. In the second Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Sb–O bond lengths are 1.99 Å. In the third Sb4+ site, Sb4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.01 Å) Sb–O bond lengths. In the fourth Sb4+ site, Sb4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.00 Å) and one longer (2.01 Å) Sb–O bond lengths. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. The O–Sb bond length is 2.00 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. The O–Sb bond length is 2.00 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. The O–Sb bond length is 2.00 Å. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. The O–Sb bond length is 1.99 Å. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and one O2- atom. The O–O bond length is 2.45 Å. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and one O2- atom. The O–O bond length is 2.45 Å. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and one O2- atom. The O–O bond length is 2.44 Å. In the tenth O2- site, O2- is bonded in a cuboctahedral geometry to six K1+ and six O2- atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Sb4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Sb4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Sb4+ atoms. There are one shorter (1.99 Å) and one longer (2.01 Å) O–Sb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Sb7(SeO4)3 by Materials Project

K3Sb7(SeO4)3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of one K3Sb7(SeO4)3 ribbon oriented in the (0, 1, 0) direction. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to one Se2- and nine O2- atoms. The K–Se bond length is 3.60 Å. There are a spread of K–O bond distances ranging from 2.71–3.12 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.90–3.18 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.16 Å. There are seven inequivalent Sb+3.86+ sites. In the first Sb+3.86+ site, Sb+3.86+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.00 Å) and two longer (2.02 Å) Sb–O bond lengths. In the second Sb+3.86+ site, Sb+3.86+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.01 Å) and one longer (2.03 Å) Sb–O bond lengths. In the third Sb+3.86+ site, Sb+3.86+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. In the fourth Sb+3.86+ site, Sb+3.86+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. In the fifth Sb+3.86+ site, Sb+3.86+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.99 Å) and one longer (2.00 Å) Sb–O bond length. In the sixth Sb+3.86+ site, Sb+3.86+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. In the seventh Sb+3.86+ site, Sb+3.86+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.56 Å) and one longer (2.57 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+ and one Sb+3.86+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to one Sb+3.86+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to one Sb+3.86+ atom. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb+3.86+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb+3.86+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two Sb+3.86+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two O2- atoms. There is one shorter (1.34 Å) and one longer (1.35 Å) O–O bond length. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+ and one O2- atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one O2- atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb+3.86+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb+3.86+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+ and two Sb+3.86+ atoms. In the tenth O2- site, O2- is bonded to two K1+ and two Sb+3.86+ atoms to form distorted corner-sharing OK2Sb2 tetrahedra. In the eleventh O2- site, O2- is bonded to two K1+ and two Sb+3.86+ atoms to form distorted corner-sharing OK2Sb2 tetrahedra. In the twelfth O2- site, O2- is bonded to two K1+ and two Sb+3.86+ atoms to form distorted corner-sharing OK2Sb2 tetrahedra.

36 MATERIALS SCIENCE↗