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DOE OSTI2020

Materials Data on Ac3Nd by Materials Project

Ac3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Nd atoms to form AcAc8Nd4 cuboctahedra that share corners with four equivalent NdAc12 cuboctahedra, corners with fourteen equivalent AcAc8Nd4 cuboctahedra, edges with six equivalent NdAc12 cuboctahedra, edges with twelve equivalent AcAc8Nd4 cuboctahedra, faces with four equivalent NdAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Nd4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.91–3.98 Å. There are two shorter (3.89 Å) and two longer (3.94 Å) Ac–Nd bond lengths. Nd is bonded to twelve equivalent Ac atoms to form NdAc12 cuboctahedra that share corners with six equivalent NdAc12 cuboctahedra, corners with twelve equivalent AcAc8Nd4 cuboctahedra, edges with eighteen equivalent AcAc8Nd4 cuboctahedra, faces with eight equivalent NdAc12 cuboctahedra, and faces with twelve equivalent AcAc8Nd4 cuboctahedra.

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Materials Data on Ac3Sc by Materials Project

Ac3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Sc atoms to form distorted AcAc8Sc4 cuboctahedra that share corners with four equivalent ScAc12 cuboctahedra, corners with fourteen equivalent AcAc8Sc4 cuboctahedra, edges with six equivalent ScAc12 cuboctahedra, edges with twelve equivalent AcAc8Sc4 cuboctahedra, faces with four equivalent ScAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Sc4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.75–3.98 Å. There are two shorter (3.76 Å) and two longer (3.86 Å) Ac–Sc bond lengths. Sc is bonded to twelve equivalent Ac atoms to form ScAc12 cuboctahedra that share corners with six equivalent ScAc12 cuboctahedra, corners with twelve equivalent AcAc8Sc4 cuboctahedra, edges with eighteen equivalent AcAc8Sc4 cuboctahedra, faces with eight equivalent ScAc12 cuboctahedra, and faces with twelve equivalent AcAc8Sc4 cuboctahedra.

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Materials Data on Ac3Np by Materials Project

NpAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Ac atoms to form NpAc12 cuboctahedra that share corners with six equivalent NpAc12 cuboctahedra, corners with twelve equivalent AcAc8Np4 cuboctahedra, edges with eighteen equivalent AcAc8Np4 cuboctahedra, faces with eight equivalent NpAc12 cuboctahedra, and faces with twelve equivalent AcAc8Np4 cuboctahedra. There are six shorter (3.79 Å) and six longer (3.89 Å) Np–Ac bond lengths. Ac is bonded to four equivalent Np and eight equivalent Ac atoms to form distorted AcAc8Np4 cuboctahedra that share corners with four equivalent NpAc12 cuboctahedra, corners with fourteen equivalent AcAc8Np4 cuboctahedra, edges with six equivalent NpAc12 cuboctahedra, edges with twelve equivalent AcAc8Np4 cuboctahedra, faces with four equivalent NpAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Np4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.79–3.99 Å.

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Materials Data on AcLa by Materials Project

AcLa is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ac is bonded to six equivalent Ac and six equivalent La atoms to form AcAc6La6 cuboctahedra that share corners with eighteen equivalent AcAc6La6 cuboctahedra, edges with six equivalent AcAc6La6 cuboctahedra, edges with twelve equivalent LaAc6La6 cuboctahedra, faces with eight equivalent AcAc6La6 cuboctahedra, and faces with twelve equivalent LaAc6La6 cuboctahedra. All Ac–Ac bond lengths are 3.93 Å. All Ac–La bond lengths are 3.87 Å. La is bonded to six equivalent Ac and six equivalent La atoms to form LaAc6La6 cuboctahedra that share corners with eighteen equivalent LaAc6La6 cuboctahedra, edges with six equivalent LaAc6La6 cuboctahedra, edges with twelve equivalent AcAc6La6 cuboctahedra, faces with eight equivalent LaAc6La6 cuboctahedra, and faces with twelve equivalent AcAc6La6 cuboctahedra. All La–La bond lengths are 3.93 Å.

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DOE OSTI2020

Materials Data on Ac3Zn by Materials Project

Ac3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a 12-coordinate geometry to eight equivalent Ac and four equivalent Zn atoms. There are a spread of Ac–Ac bond distances ranging from 3.62–4.05 Å. There are two shorter (3.57 Å) and two longer (3.84 Å) Ac–Zn bond lengths. Zn is bonded to twelve equivalent Ac atoms to form a mixture of face and corner-sharing ZnAc12 cuboctahedra.

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Materials Data on Ac3Eu by Materials Project

Ac3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Eu atoms to form AcAc8Eu4 cuboctahedra that share corners with four equivalent EuAc12 cuboctahedra, corners with fourteen equivalent AcAc8Eu4 cuboctahedra, edges with six equivalent EuAc12 cuboctahedra, edges with twelve equivalent AcAc8Eu4 cuboctahedra, faces with four equivalent EuAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Eu4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.03–4.09 Å. There are two shorter (4.04 Å) and two longer (4.08 Å) Ac–Eu bond lengths. Eu is bonded to twelve equivalent Ac atoms to form EuAc12 cuboctahedra that share corners with six equivalent EuAc12 cuboctahedra, corners with twelve equivalent AcAc8Eu4 cuboctahedra, edges with eighteen equivalent AcAc8Eu4 cuboctahedra, faces with eight equivalent EuAc12 cuboctahedra, and faces with twelve equivalent AcAc8Eu4 cuboctahedra.

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Materials Data on Ac3Lu by Materials Project

Ac3Lu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Lu atoms to form AcAc8Lu4 cuboctahedra that share corners with four equivalent LuAc12 cuboctahedra, corners with fourteen equivalent AcAc8Lu4 cuboctahedra, edges with six equivalent LuAc12 cuboctahedra, edges with twelve equivalent AcAc8Lu4 cuboctahedra, faces with four equivalent LuAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Lu4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.83–3.99 Å. There are two shorter (3.85 Å) and two longer (3.91 Å) Ac–Lu bond lengths. Lu is bonded to twelve equivalent Ac atoms to form LuAc12 cuboctahedra that share corners with six equivalent LuAc12 cuboctahedra, corners with twelve equivalent AcAc8Lu4 cuboctahedra, edges with eighteen equivalent AcAc8Lu4 cuboctahedra, faces with eight equivalent LuAc12 cuboctahedra, and faces with twelve equivalent AcAc8Lu4 cuboctahedra.

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Materials Data on Ac3Zr by Materials Project

Ac3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Zr atoms to form AcAc8Zr4 cuboctahedra that share corners with twelve equivalent AcAc8Zr4 cuboctahedra, edges with eight equivalent ZrAc12 cuboctahedra, edges with sixteen equivalent AcAc8Zr4 cuboctahedra, faces with four equivalent ZrAc12 cuboctahedra, and faces with fourteen equivalent AcAc8Zr4 cuboctahedra. All Ac–Ac bond lengths are 3.76 Å. All Ac–Zr bond lengths are 3.76 Å. Zr is bonded to twelve equivalent Ac atoms to form ZrAc12 cuboctahedra that share corners with twelve equivalent ZrAc12 cuboctahedra, edges with twenty-four equivalent AcAc8Zr4 cuboctahedra, faces with six equivalent ZrAc12 cuboctahedra, and faces with twelve equivalent AcAc8Zr4 cuboctahedra.

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Materials Data on Ac3Pa by Materials Project

PaAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ac atoms to form PaAc12 cuboctahedra that share corners with six equivalent PaAc12 cuboctahedra, corners with twelve equivalent AcAc8Pa4 cuboctahedra, edges with eighteen equivalent AcAc8Pa4 cuboctahedra, faces with eight equivalent PaAc12 cuboctahedra, and faces with twelve equivalent AcAc8Pa4 cuboctahedra. There are six shorter (3.77 Å) and six longer (3.82 Å) Pa–Ac bond lengths. Ac is bonded to four equivalent Pa and eight equivalent Ac atoms to form distorted AcAc8Pa4 cuboctahedra that share corners with four equivalent PaAc12 cuboctahedra, corners with fourteen equivalent AcAc8Pa4 cuboctahedra, edges with six equivalent PaAc12 cuboctahedra, edges with twelve equivalent AcAc8Pa4 cuboctahedra, faces with four equivalent PaAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Pa4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.70–3.95 Å.

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Materials Data on Ac3Ce by Materials Project

Ac3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with twelve equivalent AcAc8Ce4 cuboctahedra, edges with eight equivalent CeAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with fourteen equivalent AcAc8Ce4 cuboctahedra. All Ac–Ac bond lengths are 3.83 Å. All Ac–Ce bond lengths are 3.83 Å. Ce is bonded to twelve equivalent Ac atoms to form CeAc12 cuboctahedra that share corners with twelve equivalent CeAc12 cuboctahedra, edges with twenty-four equivalent AcAc8Ce4 cuboctahedra, faces with six equivalent CeAc12 cuboctahedra, and faces with twelve equivalent AcAc8Ce4 cuboctahedra.

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Materials Data on Ac3Pm by Materials Project

Ac3Pm is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Pm atoms to form AcAc8Pm4 cuboctahedra that share corners with four equivalent PmAc12 cuboctahedra, corners with fourteen equivalent AcAc8Pm4 cuboctahedra, edges with six equivalent PmAc12 cuboctahedra, edges with twelve equivalent AcAc8Pm4 cuboctahedra, faces with four equivalent PmAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Pm4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.88–3.96 Å. There are two shorter (3.91 Å) and two longer (3.92 Å) Ac–Pm bond lengths. Pm is bonded to twelve equivalent Ac atoms to form PmAc12 cuboctahedra that share corners with six equivalent PmAc12 cuboctahedra, corners with twelve equivalent AcAc8Pm4 cuboctahedra, edges with eighteen equivalent AcAc8Pm4 cuboctahedra, faces with eight equivalent PmAc12 cuboctahedra, and faces with twelve equivalent AcAc8Pm4 cuboctahedra.

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Materials Data on Ac3Y by Materials Project

Ac3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with four equivalent YAc12 cuboctahedra, corners with fourteen equivalent AcAc8Y4 cuboctahedra, edges with six equivalent YAc12 cuboctahedra, edges with twelve equivalent AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Y4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.86–3.98 Å. There are two shorter (3.88 Å) and two longer (3.92 Å) Ac–Y bond lengths. Y is bonded to twelve equivalent Ac atoms to form YAc12 cuboctahedra that share corners with six equivalent YAc12 cuboctahedra, corners with twelve equivalent AcAc8Y4 cuboctahedra, edges with eighteen equivalent AcAc8Y4 cuboctahedra, faces with eight equivalent YAc12 cuboctahedra, and faces with twelve equivalent AcAc8Y4 cuboctahedra.

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Materials Data on Ac3Ce by Materials Project

Ac3Ce is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent CeAc12 cuboctahedra, corners with fourteen equivalent AcAc8Ce4 cuboctahedra, edges with six equivalent CeAc12 cuboctahedra, edges with twelve equivalent AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Ce4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.87–3.98 Å. There are two shorter (3.88 Å) and two longer (3.93 Å) Ac–Ce bond lengths. Ce is bonded to twelve equivalent Ac atoms to form CeAc12 cuboctahedra that share corners with six equivalent CeAc12 cuboctahedra, corners with twelve equivalent AcAc8Ce4 cuboctahedra, edges with eighteen equivalent AcAc8Ce4 cuboctahedra, faces with eight equivalent CeAc12 cuboctahedra, and faces with twelve equivalent AcAc8Ce4 cuboctahedra.

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DOE OSTI2020

Materials Data on Ac3Yb by Materials Project

Ac3Yb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with twelve equivalent AcAc8Yb4 cuboctahedra, edges with eight equivalent YbAc12 cuboctahedra, edges with sixteen equivalent AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with fourteen equivalent AcAc8Yb4 cuboctahedra. All Ac–Ac bond lengths are 3.94 Å. All Ac–Yb bond lengths are 3.94 Å. Yb is bonded to twelve equivalent Ac atoms to form YbAc12 cuboctahedra that share corners with twelve equivalent YbAc12 cuboctahedra, edges with twenty-four equivalent AcAc8Yb4 cuboctahedra, faces with six equivalent YbAc12 cuboctahedra, and faces with twelve equivalent AcAc8Yb4 cuboctahedra.

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DOE OSTI2020

Materials Data on NaAc3 by Materials Project

NaAc3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ac atoms to form NaAc12 cuboctahedra that share corners with twelve equivalent NaAc12 cuboctahedra, edges with twenty-four equivalent AcNa4Ac8 cuboctahedra, faces with six equivalent NaAc12 cuboctahedra, and faces with twelve equivalent AcNa4Ac8 cuboctahedra. All Na–Ac bond lengths are 3.94 Å. Ac is bonded to four equivalent Na and eight equivalent Ac atoms to form AcNa4Ac8 cuboctahedra that share corners with twelve equivalent AcNa4Ac8 cuboctahedra, edges with eight equivalent NaAc12 cuboctahedra, edges with sixteen equivalent AcNa4Ac8 cuboctahedra, faces with four equivalent NaAc12 cuboctahedra, and faces with fourteen equivalent AcNa4Ac8 cuboctahedra. All Ac–Ac bond lengths are 3.94 Å.

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Materials Data on CsAc3 by Materials Project

CsAc3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Ac atoms to form CsAc12 cuboctahedra that share corners with twelve equivalent CsAc12 cuboctahedra, edges with twenty-four equivalent AcCs4Ac8 cuboctahedra, faces with six equivalent CsAc12 cuboctahedra, and faces with twelve equivalent AcCs4Ac8 cuboctahedra. All Cs–Ac bond lengths are 4.10 Å. Ac is bonded to four equivalent Cs and eight equivalent Ac atoms to form AcCs4Ac8 cuboctahedra that share corners with twelve equivalent AcCs4Ac8 cuboctahedra, edges with eight equivalent CsAc12 cuboctahedra, edges with sixteen equivalent AcCs4Ac8 cuboctahedra, faces with four equivalent CsAc12 cuboctahedra, and faces with fourteen equivalent AcCs4Ac8 cuboctahedra. All Ac–Ac bond lengths are 4.10 Å.

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Materials Data on Ac3Tm by Materials Project

Ac3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with four equivalent TmAc12 cuboctahedra, corners with fourteen equivalent AcAc8Tm4 cuboctahedra, edges with six equivalent TmAc12 cuboctahedra, edges with twelve equivalent AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Tm4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.82–3.98 Å. There are two shorter (3.85 Å) and two longer (3.90 Å) Ac–Tm bond lengths. Tm is bonded to twelve equivalent Ac atoms to form TmAc12 cuboctahedra that share corners with six equivalent TmAc12 cuboctahedra, corners with twelve equivalent AcAc8Tm4 cuboctahedra, edges with eighteen equivalent AcAc8Tm4 cuboctahedra, faces with eight equivalent TmAc12 cuboctahedra, and faces with twelve equivalent AcAc8Tm4 cuboctahedra.

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Materials Data on Ac3Cr by Materials Project

Ac3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Cr atoms to form distorted AcAc8Cr4 cuboctahedra that share corners with twelve equivalent AcAc8Cr4 cuboctahedra, edges with eight equivalent CrAc12 cuboctahedra, edges with sixteen equivalent AcAc8Cr4 cuboctahedra, faces with four equivalent CrAc12 cuboctahedra, and faces with fourteen equivalent AcAc8Cr4 cuboctahedra. All Ac–Ac bond lengths are 3.76 Å. All Ac–Cr bond lengths are 3.76 Å. Cr is bonded to twelve equivalent Ac atoms to form CrAc12 cuboctahedra that share corners with twelve equivalent CrAc12 cuboctahedra, edges with twenty-four equivalent AcAc8Cr4 cuboctahedra, faces with six equivalent CrAc12 cuboctahedra, and faces with twelve equivalent AcAc8Cr4 cuboctahedra.

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