Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sc”

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.

At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc2CoGe2 by Materials Project

Sc2CoGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Sc–Co bond distances ranging from 2.87–3.01 Å. There are a spread of Sc–Ge bond distances ranging from 2.75–3.17 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to two equivalent Co and six Ge atoms. Both Sc–Co bond lengths are 3.12 Å. There are a spread of Sc–Ge bond distances ranging from 2.73–2.93 Å. Co is bonded in a 4-coordinate geometry to six Sc and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.45 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sc, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Sc, one Co, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScNbN by Materials Project

ScNbN is MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six equivalent N atoms to form edge-sharing ScN6 octahedra. All Sc–N bond lengths are 2.23 Å. In the second Sc site, Sc is bonded to six equivalent Sc and six equivalent Nb atoms to form ScSc6Nb6 cuboctahedra that share corners with six equivalent ScSc6Nb6 cuboctahedra, corners with six equivalent NSc3Nb3 octahedra, edges with six equivalent ScSc6Nb6 cuboctahedra, edges with six equivalent NSc3Nb3 octahedra, and faces with six equivalent ScSc6Nb6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Sc–Sc bond lengths are 3.11 Å. All Sc–Nb bond lengths are 3.13 Å. Nb is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent N atoms. All Nb–N bond lengths are 2.21 Å. N is bonded to three equivalent Sc and three equivalent Nb atoms to form NSc3Nb3 octahedra that share corners with three equivalent ScSc6Nb6 cuboctahedra, corners with three equivalent NSc3Nb3 octahedra, edges with three equivalent ScSc6Nb6 cuboctahedra, and edges with nine equivalent NSc3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCrGe2 by Materials Project

ScCrGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.99 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.60 Å. In the second Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.56–2.58 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Cr atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Cr atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScMnGe2 by Materials Project

ScMnGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.75–2.98 Å. In the second Sc site, Sc is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.76–2.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are two shorter (2.52 Å) and four longer (2.55 Å) Mn–Ge bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six Sc, two equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc and two equivalent Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Mn atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Mn, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc4OsCl4 by Materials Project

Sc4OsCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to two equivalent Os and four Cl atoms to form a mixture of distorted face, edge, and corner-sharing ScOs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 39–92°. There are one shorter (2.71 Å) and one longer (2.74 Å) Sc–Os bond lengths. There are a spread of Sc–Cl bond distances ranging from 2.70–2.80 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to two equivalent Os and four Cl atoms. There are one shorter (2.72 Å) and one longer (2.73 Å) Sc–Os bond lengths. There are a spread of Sc–Cl bond distances ranging from 2.69–2.77 Å. Os is bonded in a 8-coordinate geometry to eight Sc atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to four Sc atoms. In the second Cl site, Cl is bonded in a 4-coordinate geometry to four Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5Sc by Materials Project

Mg5Sc is Magnesium-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eight equivalent ScMg10Sc2 cuboctahedra, edges with ten MgMg10Sc2 cuboctahedra, faces with two equivalent ScMg10Sc2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.25 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with four equivalent ScMg10Sc2 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with four equivalent ScMg10Sc2 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.17–3.24 Å. All Mg–Sc bond lengths are 3.18 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with six equivalent ScMg10Sc2 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. There are four shorter (3.20 Å) and two longer (3.24 Å) Mg–Mg bond lengths. Both Mg–Sc bond lengths are 3.19 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with six equivalent ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with three equivalent ScMg10Sc2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, faces with two equivalent ScMg10Sc2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.24 Å) Mg–Mg bond lengths. Both Mg–Sc bond lengths are 3.16 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Sc atoms to form MgMg10Sc2 cuboctahedra that share corners with six equivalent ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with three equivalent ScMg10Sc2 cuboctahedra, edges with fifteen MgMg10Sc2 cuboctahedra, faces with two equivalent ScMg10Sc2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.24 Å. Both Mg–Sc bond lengths are 3.24 Å. Sc is bonded to ten Mg and two equivalent Sc atoms to form ScMg10Sc2 cuboctahedra that share corners with six equivalent ScMg10Sc2 cuboctahedra, corners with twelve MgMg10Sc2 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with four equivalent ScMg10Sc2 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Sc–Sc bond lengths are 3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScMnSi2 by Materials Project

ScMnSi2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Sc–Si bond distances ranging from 2.73–2.88 Å. In the second Sc site, Sc is bonded to seven Si atoms to form a mixture of distorted corner and edge-sharing ScSi7 pentagonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.70–2.81 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.48 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Si atoms. There are a spread of Mn–Si bond distances ranging from 2.46–2.48 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc and two equivalent Mn atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to six Sc, two equivalent Mn, and one Si atom. The Si–Si bond length is 2.47 Å. In the third Si site, Si is bonded in a 6-coordinate geometry to two equivalent Sc and four Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the fifth Si site, Si is bonded in a 7-coordinate geometry to three Sc, three Mn, and one Si atom. The Si–Si bond length is 2.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3Nb by Materials Project

Sc3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent Nb atoms to form ScSc8Nb4 cuboctahedra that share corners with twelve equivalent ScSc8Nb4 cuboctahedra, edges with eight equivalent NbSc12 cuboctahedra, edges with sixteen ScSc8Nb4 cuboctahedra, faces with four equivalent NbSc12 cuboctahedra, and faces with fourteen ScSc8Nb4 cuboctahedra. All Sc–Sc bond lengths are 3.15 Å. All Sc–Nb bond lengths are 3.15 Å. In the second Sc site, Sc is bonded to eight equivalent Sc and four equivalent Nb atoms to form ScSc8Nb4 cuboctahedra that share corners with four equivalent ScSc8Nb4 cuboctahedra, corners with eight equivalent NbSc12 cuboctahedra, edges with twenty-four ScSc8Nb4 cuboctahedra, faces with six equivalent NbSc12 cuboctahedra, and faces with twelve ScSc8Nb4 cuboctahedra. All Sc–Nb bond lengths are 3.15 Å. Nb is bonded to twelve Sc atoms to form NbSc12 cuboctahedra that share corners with four equivalent NbSc12 cuboctahedra, corners with eight equivalent ScSc8Nb4 cuboctahedra, edges with eight equivalent NbSc12 cuboctahedra, edges with sixteen equivalent ScSc8Nb4 cuboctahedra, faces with four equivalent NbSc12 cuboctahedra, and faces with fourteen ScSc8Nb4 cuboctahedra.

36 MATERIALS SCIENCE↗
NASA NTRS2019

The Cumulus and Stratocumulus CloudSat-CALIPSO Dataset (CASCCAD)

Low clouds continue to contribute greatly to the uncertainty in cloud feedback estimates. Depending on whether a region is dominated by cumulus (Cu) or stratocumulus (Sc) clouds, the interannual low-cloud feedback is somewhat different in both spaceborne and large-eddy simulation studies. Therefore, simulating the correct amount and variation of the Cu and Sc cloud distributions could be crucial to predict future cloud feedbacks. Here we document spatial distributions and profiles of Sc and Cu clouds derived from Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) and CloudSat measurements. For this purpose, we create a new dataset called the Cumulus And Stratocumulus CloudSat-CALIPSO Dataset (CASCCAD), which identifies Sc, broken Sc, Cu under Sc, Cu with stratiform outflow and Cu. To separate the Cu from Sc, we design an original method based on the cloud height, horizontal extent, vertical variability and horizontal continuity, which is separately applied to both CALIPSO and combined CloudSat–CALIPSO observations. First, the choice of parameters used in the discrimination algorithm is investigated and validated in selected Cu, Sc and Sc–Cu transition case studies. Then, the global statistics are compared against those from existing passive- and active-sensor satellite observations. Our results indicate that the cloud optical thickness – as used in passive-sensor observations – is not a sufficient parameter to discriminate Cu from Sc clouds, in agreement with previous literature. Using clustering-derived datasets shows better results although one cannot completely separate cloud types with such an approach. On the contrary, classifying Cu and Sc clouds and the transition between them based on their geometrical shape and spatial heterogeneity leads to spatial distributions consistent with prior knowledge of these clouds, from ground-based, ship-based and field campaigns. Furthermore, we show that our method improves existing Sc–Cu classifications by using additional information on cloud height and vertical cloud fraction variation. Finally, the CASCCAD datasets provide a basis to evaluate shallow convection and stratocumulus clouds on a global scale in climate models and potentially improve our understanding of low-level cloud feedbacks. The CASCCAD dataset (Cesana, 2019, https://doi.org/10.5281/zenodo.2667637) is available on the Goddard Institute for Space Studies (GISS) website at https://data.giss.nasa.gov/clouds/casccad/ (last access: 5 November 2019) and on the zenodo website at https://zenodo.org/record/2667637 (last access: 5 November 2019).

Cesana, Gregory V.↗
DOE OSTI2020

Materials Data on Sc6FeTe2 by Materials Project

Sc6FeTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Te atoms. Both Sc–Fe bond lengths are 2.62 Å. Both Sc–Te bond lengths are 3.04 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Fe and four equivalent Te atoms. The Sc–Fe bond length is 2.96 Å. All Sc–Te bond lengths are 3.07 Å. Fe is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6NiTe2 by Materials Project

Sc6NiTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Te atoms. Both Sc–Ni bond lengths are 2.63 Å. Both Sc–Te bond lengths are 3.03 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Ni and four equivalent Te atoms. The Sc–Ni bond length is 3.05 Å. All Sc–Te bond lengths are 3.04 Å. Ni is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6FeSb2 by Materials Project

Sc6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Sc–Fe bond length is 2.98 Å. All Sc–Sb bond lengths are 3.07 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Sc–Fe bond lengths are 2.64 Å. Both Sc–Sb bond lengths are 3.02 Å. Fe is bonded in a 9-coordinate geometry to nine Sc atoms. Sb is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6Te2Os by Materials Project

Sc6OsTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Os and two equivalent Te atoms. Both Sc–Os bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.01 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Os and four equivalent Te atoms. The Sc–Os bond length is 2.97 Å. All Sc–Te bond lengths are 3.10 Å. Os is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6Te2Rh by Materials Project

Sc6RhTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Sc–Rh bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Rh and four equivalent Te atoms. The Sc–Rh bond length is 3.06 Å. All Sc–Te bond lengths are 3.06 Å. Rh is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc7BCl12 by Materials Project

Sc7BCl12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc+2.14+ sites. In the first Sc+2.14+ site, Sc+2.14+ is bonded to six equivalent Cl1- atoms to form edge-sharing ScCl6 octahedra. All Sc–Cl bond lengths are 2.56 Å. In the second Sc+2.14+ site, Sc+2.14+ is bonded to one B3- and five Cl1- atoms to form ScBCl5 octahedra that share corners with three equivalent ScBCl5 octahedra and edges with six ScCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Sc–B bond length is 2.34 Å. There are a spread of Sc–Cl bond distances ranging from 2.56–2.79 Å. B3- is bonded in an octahedral geometry to six equivalent Sc+2.14+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc+2.14+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Sc+2.14+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc7CoI12 by Materials Project

Sc7CoI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in an octahedral geometry to six equivalent I atoms. All Sc–I bond lengths are 2.91 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to one Co and five I atoms. The Sc–Co bond length is 2.43 Å. There are a spread of Sc–I bond distances ranging from 2.93–3.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three equivalent Sc atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3B2Rh5 by Materials Project

Sc3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.82–2.98 Å. There are one shorter (2.73 Å) and two longer (2.87 Å) Sc–B bond lengths. In the second Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.72 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to six Sc and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc11Nb3O24 by Materials Project

Sc11Nb3O24 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.65 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.18 Å. In the third Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.60 Å. In the fourth Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.09–2.69 Å. In the fifth Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.10–2.66 Å. In the sixth Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.03–2.21 Å. In the seventh Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.65 Å. In the eighth Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.09–2.18 Å. In the ninth Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.68 Å. In the tenth Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.19 Å. In the eleventh Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.05–2.59 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.97–2.10 Å. In the second Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.95–2.16 Å. In the third Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.97–2.12 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four Sc3+ atoms to form distorted OSc4 tetrahedra that share corners with six OSc4 tetrahedra, edges with two OSc4 tetrahedra, and an edgeedge with one OSc3Nb trigonal pyramid. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom. In the fifth O2- site, O2- is bonded to four Sc3+ atoms to form OSc4 tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc4 tetrahedra. In the sixth O2- site, O2- is bonded to four Sc3+ atoms to form a mixture of corner and edge-sharing OSc4 tetrahedra. In the seventh O2- site, O2- is bonded to three Sc3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OSc3Nb trigonal pyramids. In the eighth O2- site, O2- is bonded to three Sc3+ and one Nb5+ atom to form OSc3Nb tetrahedra that share corners with six OSc4 tetrahedra, edges with two OSc3Nb tetrahedra, and an edgeedge with one OSc3Nb trigonal pyramid. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom. In the tenth O2- site, O2- is bonded to three Sc3+ and one Nb5+ atom to form distorted OSc3Nb tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc4 tetrahedra. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Sc3+ and two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one Sc3+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and one Nb5+ atom. In the fifteenth O2- site, O2- is bonded to three Sc3+ and one Nb5+ atom to form distorted OSc3Nb tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc4 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sc3+ and one Nb5+ atom. In the seventeenth O2- site, O2- is bonded to four Sc3+ atoms to form OSc4 tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc3Nb tetrahedra. In the eighteenth O2- site, O2- is bonded to four Sc3+ atoms to form OSc4 tetrahedra that share corners with six OSc4 tetrahedra, edges with two OSc4 tetrahedra, and an edgeedge with one OSc3Nb trigonal pyramid. In the nineteenth O2- site, O2- is bonded to four Sc3+ atoms to form a mixture of corner and edge-sharing OSc4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Sc3+ atoms to form distorted OSc4 tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc4 tetrahedra. In the twenty-first O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom. In the twenty-second O2- site, O2- is bonded to four Sc3+ atoms to form distorted OSc4 tetrahedra that share corners with five OSc4 tetrahedra, a cornercorner with one OSc3Nb trigonal pyramid, and edges with three OSc4 tetrahedra. In the twenty-third O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and one Nb5+ atom. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Nb5+ atom.

36 MATERIALS SCIENCE↗