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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrO4 by Materials Project

SrO4 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one SrO4 cluster. Sr is bonded in a linear geometry to two equivalent O atoms. Both Sr–O bond lengths are 2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.32 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Sr and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr7Al12O25 by Materials Project

Sr7Al12O25 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are nine inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.00 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.01 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.74 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are one shorter (2.12 Å) and three longer (2.54 Å) Sr–O bond lengths. In the fifth Sr2+ site, Sr2+ is bonded to four O2- atoms to form distorted SrO4 trigonal pyramids that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent AlO4 trigonal pyramids. There are one shorter (2.12 Å) and three longer (2.54 Å) Sr–O bond lengths. In the sixth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.75 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.01 Å. In the eighth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.75 Å. In the ninth Sr2+ site, Sr2+ is bonded to four O2- atoms to form distorted SrO4 trigonal pyramids that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent AlO4 trigonal pyramids. There are one shorter (2.12 Å) and three longer (2.53 Å) Sr–O bond lengths. 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 1.77–1.80 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two AlO4 tetrahedra, a cornercorner with one SrO4 trigonal pyramid, and corners with two equivalent AlO4 trigonal pyramids. There are a spread of Al–O bond distances ranging from 1.77–1.80 Å. In the third 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 1.77–1.80 Å. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 trigonal pyramids. There are a spread of Al–O bond distances ranging from 1.77–1.85 Å. In the fifth 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 sixth 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 1.77–1.80 Å. In the seventh Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 trigonal pyramids that share corners with four AlO4 tetrahedra and a cornercorner with one SrO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.77–1.85 Å. In the eighth 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 1.77–1.80 Å. 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 AlO4 trigonal pyramids that share corners with four AlO4 tetrahedra and a cornercorner with one SrO4 trigonal pyramid. There are a spread of Al–O bond distances ranging from 1.77–1.85 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 1.76–1.78 Å. In the twelfth Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two AlO4 tetrahedra, a cornercorner with one SrO4 trigonal pyramid, and corners with two equivalent AlO4 trigonal pyramids. There are a spread of Al–O bond distances ranging from 1.77–1.80 Å. There are twenty-seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Sr2+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Al3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Al3+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Sr2+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Sr2+ atom. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Sr2+ and two Al3+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the twentieth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Sr2+ and two Al3+ atoms. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Al3+ atoms. In the twenty-second O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Al3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the twenty-seventh O2- site, O2- is bonded in a single-bond geometry to one Sr2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr6La4Mg2Ru3O20 by Materials Project

Sr6Mg2La4Ru3O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four O2- atoms to form distorted SrO4 tetrahedra that share corners with two equivalent RuO6 octahedra and corners with three equivalent SrO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–64°. There are a spread of Sr–O bond distances ranging from 2.33–2.51 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.88 Å. In the third Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.33–2.79 Å. Mg2+ is bonded to five O2- atoms to form distorted corner-sharing MgO5 trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 1.92–2.42 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.60 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.50 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra and corners with two equivalent SrO4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Ru–O bond distances ranging from 1.96–2.08 Å. In the second Ru4+ site, Ru4+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.98 Å) Ru–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one La3+, and one Ru4+ atom to form OSr2LaRu tetrahedra that share corners with six OSr2LaRu tetrahedra, corners with two equivalent OSrLa2Mg trigonal pyramids, and edges with three OSrLa2Ru tetrahedra. In the second O2- site, O2- is bonded to one Sr2+, two equivalent La3+, and one Ru4+ atom to form distorted OSrLa2Ru tetrahedra that share corners with six OSr2LaRu tetrahedra, corners with two equivalent OSrLa2Mg trigonal pyramids, edges with three OSr3Ru tetrahedra, and an edgeedge with one OSrLa2Mg trigonal pyramid. In the third O2- site, O2- is bonded to two equivalent Mg2+ and four equivalent La3+ atoms to form OLa4Mg2 octahedra that share corners with two equivalent OSrLa2Mg trigonal pyramids and edges with two equivalent OLa4Mg2 octahedra. In the fourth O2- site, O2- is bonded to three Sr2+ and one Ru4+ atom to form distorted OSr3Ru tetrahedra that share corners with six OSr2LaRu tetrahedra and an edgeedge with one OSrLa2Ru tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ru4+ atom. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, one La3+, and one Ru4+ atom to form OSr2LaRu tetrahedra that share corners with six OSrLa2Ru tetrahedra, an edgeedge with one OSr2LaRu tetrahedra, and edges with two equivalent OSrLa2Mg trigonal pyramids. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Mg2+, and two equivalent La3+ atoms. In the eighth O2- site, O2- is bonded to one Sr2+, one Mg2+, and two equivalent La3+ atoms to form distorted OSrLa2Mg trigonal pyramids that share a cornercorner with one OLa4Mg2 octahedra, corners with four OSr2LaRu tetrahedra, corners with two equivalent OSrLa2Mg trigonal pyramids, and edges with three OSrLa2Ru tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent Ru4+ atoms. In the tenth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Sr2+ and two equivalent Ru4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two equivalent Mg2+, and one La3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrNd2O4 by Materials Project

SrNd2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent NdO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Sr–O bond lengths are 2.46 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent NdO6 octahedra. All Nd–O bond lengths are 2.41 Å. O2- is bonded to one Sr2+ and three equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing OSrNd3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSc2O4 by Materials Project

SrSc2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 61–62°. All Sr–O bond lengths are 2.34 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. O2- is bonded to one Sr2+ and three equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSrSc3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrLa2O4 by Materials Project

SrLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Sr–O bond lengths are 2.50 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.44 Å) and four longer (2.45 Å) La–O bond lengths. O2- is bonded to one Sr2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OSrLa3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSm2O4 by Materials Project

SrSm2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 59–61°. All Sr–O bond lengths are 2.45 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent SmO6 octahedra. There are two shorter (2.37 Å) and four longer (2.38 Å) Sm–O bond lengths. O2- is bonded to one Sr2+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OSrSm3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrLu2O4 by Materials Project

SrLu2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 60–62°. All Sr–O bond lengths are 2.39 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent LuO6 octahedra. There are two shorter (2.24 Å) and four longer (2.25 Å) Lu–O bond lengths. O2- is bonded to one Sr2+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing OSrLu3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2Sr2O3 by Materials Project

Cs2Sr2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.42 Å. Sr2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SrO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.41–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Sr2+ atoms to form corner-sharing OCs4Sr2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Sr2O3 by Materials Project

K2Sr2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.11 Å. Sr2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SrO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.38–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Sr2+ atoms to form corner-sharing OK4Sr2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗