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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on AcCuO3 by Materials Project

AcCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Ac–O bond lengths are 2.79 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Cu3+ atoms.

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DOE OSTI2020

Materials Data on LiAcTe2 by Materials Project

LiAcTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Li–Te bond lengths are 3.43 Å. Ac3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ac–Te bond lengths are 3.43 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Ac3+ atoms.

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Materials Data on AcTlTe2 by Materials Project

AcTlTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ac–Te bond lengths are 3.53 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Tl–Te bond lengths are 3.53 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Ac3+ and four equivalent Tl1+ atoms.

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DOE OSTI2020

Materials Data on NaAcTe2 by Materials Project

NaAcTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Na–Te bond lengths are 3.48 Å. Ac3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ac–Te bond lengths are 3.48 Å. Te2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Ac3+ atoms.

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DOE OSTI2020

Materials Data on AcTe3 by Materials Project

AcTe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac3+ is bonded to twelve Te1- atoms to form AcTe12 cuboctahedra that share corners with four equivalent AcTe12 cuboctahedra, edges with eight equivalent AcTe12 cuboctahedra, edges with sixteen equivalent TeAc4Te8 cuboctahedra, faces with four equivalent AcTe12 cuboctahedra, and faces with eight equivalent TeAc4Te8 cuboctahedra. There are four shorter (3.32 Å) and eight longer (3.74 Å) Ac–Te bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded to four equivalent Ac3+ and eight Te1- atoms to form distorted TeAc4Te8 cuboctahedra that share corners with twelve equivalent TeAc4Te8 cuboctahedra, edges with eight equivalent AcTe12 cuboctahedra, edges with eight equivalent TeAc4Te8 cuboctahedra, faces with four equivalent AcTe12 cuboctahedra, and faces with ten equivalent TeAc4Te8 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.74 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a square co-planar geometry to four equivalent Ac3+ and eight equivalent Te1- atoms.

36 MATERIALS SCIENCE↗
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Materials Data on AcTiO3 by Materials Project

AcTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Ac–O bond lengths are 2.84 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Ti3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcN by Materials Project

AcN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ac3+ is bonded to four equivalent N3- atoms to form corner-sharing AcN4 tetrahedra. All Ac–N bond lengths are 2.55 Å. N3- is bonded to four equivalent Ac3+ atoms to form corner-sharing NAc4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcAgTe2 by Materials Project

AcAgTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ac–Te bond lengths are 3.41 Å. Ag1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ag–Te bond lengths are 3.41 Å. Te2- is bonded in a distorted body-centered cubic geometry to four equivalent Ac3+ and four equivalent Ag1+ atoms.

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Materials Data on AcSe3 by Materials Project

AcSe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent Se1- atoms to form a mixture of face and corner-sharing AcSe12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.51 Å) Ac–Se bond lengths. Se1- is bonded in a 2-coordinate geometry to four equivalent Ac3+ atoms.

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Materials Data on AcAu3 by Materials Project

AcAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent Au1- atoms to form a mixture of distorted corner and face-sharing AcAu12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.47 Å) Ac–Au bond lengths. Au1- is bonded in a 4-coordinate geometry to four equivalent Ac3+ and six equivalent Au1- atoms. There are four shorter (2.96 Å) and two longer (3.05 Å) Au–Au bond lengths.

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Materials Data on Ac2S3 by Materials Project

Ac2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ac3+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing AcS6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are three shorter (2.97 Å) and three longer (3.04 Å) Ac–S bond lengths. S2- is bonded to four equivalent Ac3+ atoms to form a mixture of distorted corner and edge-sharing SAc4 trigonal pyramids.

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Materials Data on AcGaO3 by Materials Project

AcGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Ac–O bond lengths are 2.81 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Ga3+ atoms.

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DOE OSTI2020

Materials Data on AcBO3 by Materials Project

AcBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Ac–O bond lengths are 2.63 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent B3+ atoms.

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Materials Data on AcNiO3 by Materials Project

AcNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Ac–O bond lengths are 2.78 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Ni3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcSe3 by Materials Project

AcSe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac3+ is bonded to twelve Se1- atoms to form AcSe12 cuboctahedra that share corners with four equivalent AcSe12 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with sixteen equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with eight equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.48 Å) Ac–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded to four equivalent Ac3+ and eight Se1- atoms to form distorted SeAc4Se8 cuboctahedra that share corners with twelve equivalent SeAc4Se8 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with eight equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with ten equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and four longer (3.48 Å) Se–Se bond lengths. In the second Se1- site, Se1- is bonded in a square co-planar geometry to four equivalent Ac3+ and eight equivalent Se1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcHgTe2 by Materials Project

AcHgTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ac–Te bond lengths are 3.48 Å. Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Hg–Te bond lengths are 3.48 Å. Te2- is bonded in a distorted body-centered cubic geometry to four equivalent Ac3+ and four equivalent Hg1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcScO3 by Materials Project

AcScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Ac–O bond lengths are 2.92 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcAlO3 by Materials Project

AcAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Ac–O bond lengths are 2.75 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Al3+ atoms.

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