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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y3TlC by Materials Project

Y3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Y–Tl bond lengths are 3.49 Å. Both Y–C bond lengths are 2.47 Å. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with twelve equivalent TlY12 cuboctahedra, faces with six equivalent TlY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent TlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3NiN by Materials Project

Fe3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Fe–Ni bond lengths are 2.67 Å. Both Fe–N bond lengths are 1.89 Å. Ni is bonded to twelve equivalent Fe atoms to form NiFe12 cuboctahedra that share corners with twelve equivalent NiFe12 cuboctahedra, faces with six equivalent NiFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent NiFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3AlC by Materials Project

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Er–Al bond lengths are 3.41 Å. Both Er–C bond lengths are 2.41 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent CEr6 octahedra. C is bonded to six equivalent Er atoms to form CEr6 octahedra that share corners with six equivalent CEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3AlC by Materials Project

Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Tb–Al bond lengths are 3.48 Å. Both Tb–C bond lengths are 2.46 Å. Al is bonded to twelve equivalent Tb atoms to form AlTb12 cuboctahedra that share corners with twelve equivalent AlTb12 cuboctahedra, faces with six equivalent AlTb12 cuboctahedra, and faces with eight equivalent CTb6 octahedra. C is bonded to six equivalent Tb atoms to form CTb6 octahedra that share corners with six equivalent CTb6 octahedra and faces with eight equivalent AlTb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3AlC by Materials Project

Nd3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Nd–Al bond lengths are 3.61 Å. Both Nd–C bond lengths are 2.55 Å. Al is bonded to twelve equivalent Nd atoms to form AlNd12 cuboctahedra that share corners with twelve equivalent AlNd12 cuboctahedra, faces with six equivalent AlNd12 cuboctahedra, and faces with eight equivalent CNd6 octahedra. C is bonded to six equivalent Nd atoms to form CNd6 octahedra that share corners with six equivalent CNd6 octahedra and faces with eight equivalent AlNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3PtN by Materials Project

Fe3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Pt and two equivalent N atoms. All Fe–Pt bond lengths are 2.73 Å. Both Fe–N bond lengths are 1.93 Å. Pt is bonded to twelve equivalent Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent PtFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3AlC by Materials Project

Gd3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Gd–Al bond lengths are 3.49 Å. Both Gd–C bond lengths are 2.47 Å. Al is bonded to twelve equivalent Gd atoms to form AlGd12 cuboctahedra that share corners with twelve equivalent AlGd12 cuboctahedra, faces with six equivalent AlGd12 cuboctahedra, and faces with eight equivalent CGd6 octahedra. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent CGd6 octahedra and faces with eight equivalent AlGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3RhN by Materials Project

Mn3RhN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Rh and two equivalent N atoms. All Mn–Rh bond lengths are 2.76 Å. Both Mn–N bond lengths are 1.95 Å. Rh is bonded to twelve equivalent Mn atoms to form RhMn12 cuboctahedra that share corners with twelve equivalent RhMn12 cuboctahedra, faces with six equivalent RhMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent RhMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3GaN by Materials Project

Mn3GaN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Mn–Ga bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Mn atoms to form GaMn12 cuboctahedra that share corners with twelve equivalent GaMn12 cuboctahedra, faces with six equivalent GaMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent GaMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3InN by Materials Project

Gd3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Gd–In bond lengths are 3.46 Å. Both Gd–N bond lengths are 2.45 Å. In is bonded to twelve equivalent Gd atoms to form InGd12 cuboctahedra that share corners with twelve equivalent InGd12 cuboctahedra, faces with six equivalent InGd12 cuboctahedra, and faces with eight equivalent NGd6 octahedra. N is bonded to six equivalent Gd atoms to form NGd6 octahedra that share corners with six equivalent NGd6 octahedra and faces with eight equivalent InGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3SnH by Materials Project

Ti3SnH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Sn and two equivalent H atoms. All Ti–Sn bond lengths are 2.95 Å. Both Ti–H bond lengths are 2.09 Å. Sn is bonded to twelve equivalent Ti atoms to form SnTi12 cuboctahedra that share corners with twelve equivalent SnTi12 cuboctahedra, faces with six equivalent SnTi12 cuboctahedra, and faces with eight equivalent HTi6 octahedra. H is bonded to six equivalent Ti atoms to form HTi6 octahedra that share corners with six equivalent HTi6 octahedra and faces with eight equivalent SnTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3TlC by Materials Project

La3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All La–Tl bond lengths are 3.71 Å. Both La–C bond lengths are 2.62 Å. Tl is bonded to twelve equivalent La atoms to form TlLa12 cuboctahedra that share corners with twelve equivalent TlLa12 cuboctahedra, faces with six equivalent TlLa12 cuboctahedra, and faces with eight equivalent CLa6 octahedra. C is bonded to six equivalent La atoms to form CLa6 octahedra that share corners with six equivalent CLa6 octahedra and faces with eight equivalent TlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3PtN by Materials Project

Mn3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Pt and two equivalent N atoms. All Mn–Pt bond lengths are 2.79 Å. Both Mn–N bond lengths are 1.97 Å. Pt is bonded to twelve equivalent Mn atoms to form PtMn12 cuboctahedra that share corners with twelve equivalent PtMn12 cuboctahedra, faces with six equivalent PtMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent PtMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3AlC by Materials Project

Sm3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sm–Al bond lengths are 3.55 Å. Both Sm–C bond lengths are 2.51 Å. Al is bonded to twelve equivalent Sm atoms to form AlSm12 cuboctahedra that share corners with twelve equivalent AlSm12 cuboctahedra, faces with six equivalent AlSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent AlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3AsN by Materials Project

Ca3AsN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Ca–As bond lengths are 3.37 Å. Both Ca–N bond lengths are 2.38 Å. As3- is bonded to twelve equivalent Ca2+ atoms to form AsCa12 cuboctahedra that share corners with twelve equivalent AsCa12 cuboctahedra, faces with six equivalent AsCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N3- is bonded to six equivalent Ca2+ atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent AsCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3ClO by Materials Project

Rb3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Rb–O bond lengths are 2.77 Å. All Rb–Cl bond lengths are 3.91 Å. O2- is bonded to six equivalent Rb1+ atoms to form ORb6 octahedra that share corners with six equivalent ORb6 octahedra and faces with eight equivalent ClRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Rb1+ atoms to form ClRb12 cuboctahedra that share corners with twelve equivalent ClRb12 cuboctahedra, faces with six equivalent ClRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3SiO by Materials Project

Ba3SiO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. All Ba–Si bond lengths are 3.84 Å. Both Ba–O bond lengths are 2.71 Å. Si4- is bonded to twelve equivalent Ba2+ atoms to form SiBa12 cuboctahedra that share corners with twelve equivalent SiBa12 cuboctahedra, faces with six equivalent SiBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O2- is bonded to six equivalent Ba2+ atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3SnO by Materials Project

Sr3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Sr–Sn bond lengths are 3.66 Å. Both Sr–O bond lengths are 2.59 Å. Sn is bonded to twelve equivalent Sr atoms to form SnSr12 cuboctahedra that share corners with twelve equivalent SnSr12 cuboctahedra, faces with six equivalent SnSr12 cuboctahedra, and faces with eight equivalent OSr6 octahedra. O is bonded to six equivalent Sr atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and faces with eight equivalent SnSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗