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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er3InN by Materials Project

Er3InN 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 In and two equivalent N atoms. All Er–In bond lengths are 3.37 Å. Both Er–N bond lengths are 2.38 Å. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with twelve equivalent InEr12 cuboctahedra, faces with six equivalent InEr12 cuboctahedra, and faces with eight equivalent NEr6 octahedra. N is bonded to six equivalent Er atoms to form NEr6 octahedra that share corners with six equivalent NEr6 octahedra and faces with eight equivalent InEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3BiN by Materials Project

BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent N atoms. All Ca–Bi bond lengths are 3.48 Å. Both Ca–N bond lengths are 2.46 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3AlC by Materials Project

Ti3AlC 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 Al and two equivalent C atoms. All Ti–Al bond lengths are 2.96 Å. Both Ti–C bond lengths are 2.09 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3AuS2 by Materials Project

Ag3AuS2 is beta Tridymite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two S2- atoms. Both Au–S bond lengths are 2.31 Å. Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Au1+ and three equivalent Ag1+ atoms to form corner-sharing SAg3Au tetrahedra. In the second S2- site, S2- is bonded to one Au1+ and three equivalent Ag1+ atoms to form corner-sharing SAg3Au tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3AlC by Materials Project

AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sc–Al bond lengths are 3.19 Å. Both Sc–C bond lengths are 2.26 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent AlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3TlC by Materials Project

Sc3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sc–Tl bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3AuO by Materials Project

Rb3AuO 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 four equivalent Au1- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.97 Å. Both Rb–O bond lengths are 2.81 Å. Au1- is bonded to twelve equivalent Rb1+ atoms to form AuRb12 cuboctahedra that share corners with twelve equivalent AuRb12 cuboctahedra, faces with six equivalent AuRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra. 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 AuRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3AlC by Materials Project

Y3AlC 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 Al and two equivalent C atoms. All Y–Al bond lengths are 3.46 Å. Both Y–C bond lengths are 2.45 Å. Al is bonded to twelve equivalent Y atoms to form AlY12 cuboctahedra that share corners with twelve equivalent AlY12 cuboctahedra, faces with six equivalent AlY12 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 AlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3AlN by Materials Project

La3AlN 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 Al and two equivalent N atoms. All La–Al bond lengths are 3.61 Å. Both La–N bond lengths are 2.55 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, faces with six equivalent AlLa12 cuboctahedra, and faces with eight equivalent NLa6 octahedra. N is bonded to six equivalent La atoms to form NLa6 octahedra that share corners with six equivalent NLa6 octahedra and faces with eight equivalent AlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3TlC by Materials Project

TlCTi3 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 Tl and two equivalent C atoms. All Ti–Tl bond lengths are 3.01 Å. Both Ti–C bond lengths are 2.13 Å. Tl is bonded to twelve equivalent Ti atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent TlTi12 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent TlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3AlC by Materials Project

AlCMn3 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 Al and two equivalent C atoms. All Mn–Al bond lengths are 2.69 Å. Both Mn–C bond lengths are 1.90 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 cuboctahedra, and faces with eight equivalent CMn6 octahedra. C is bonded to six equivalent Mn atoms to form CMn6 octahedra that share corners with six equivalent CMn6 octahedra and faces with eight equivalent AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3SnN by Materials Project

Mn3SnN 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 Sn and two equivalent N atoms. All Mn–Sn bond lengths are 2.74 Å. Both Mn–N bond lengths are 1.94 Å. Sn is bonded to twelve equivalent Mn atoms to form SnMn12 cuboctahedra that share corners with twelve equivalent SnMn12 cuboctahedra, faces with six equivalent SnMn12 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 SnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr3IrN by Materials Project

Cr3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Cr–Ir bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Ir is bonded to twelve equivalent Cr atoms to form IrCr12 cuboctahedra that share corners with twelve equivalent IrCr12 cuboctahedra, faces with six equivalent IrCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent IrCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3CuN by Materials Project

Mn3CuN 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 Cu and two equivalent N atoms. All Mn–Cu bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.91 Å. Cu is bonded to twelve equivalent Mn atoms to form CuMn12 cuboctahedra that share corners with twelve equivalent CuMn12 cuboctahedra, faces with six equivalent CuMn12 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 CuMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3SbN by Materials Project

SbNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Sr–Sb bond lengths are 3.69 Å. Both Sr–N bond lengths are 2.61 Å. Sb3- is bonded to twelve equivalent Sr2+ atoms to form SbSr12 cuboctahedra that share corners with twelve equivalent SbSr12 cuboctahedra, faces with six equivalent SbSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent SbSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3BiN by Materials Project

BiNSr3 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 Bi and two equivalent N atoms. All Sr–Bi bond lengths are 3.72 Å. Both Sr–N bond lengths are 2.63 Å. Bi is bonded to twelve equivalent Sr atoms to form BiSr12 cuboctahedra that share corners with twelve equivalent BiSr12 cuboctahedra, faces with six equivalent BiSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N is bonded to six equivalent Sr atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent BiSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3AuC2NCl by Materials Project

AuC2NH3Cl crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two AuC2NH3Cl clusters. Au1+ is bonded in a linear geometry to one C and one Cl1- atom. The Au–C bond length is 1.93 Å. The Au–Cl bond length is 2.29 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C site, C is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The C–N bond length is 1.41 Å. All C–H bond lengths are 1.10 Å. N3- is bonded in a linear geometry to two C atoms. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. Cl1- is bonded in a single-bond geometry to one Au1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3RhN by Materials Project

Fe3RhN 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 Rh and two equivalent N atoms. All Fe–Rh bond lengths are 2.72 Å. Both Fe–N bond lengths are 1.93 Å. Rh is bonded to twelve equivalent Fe atoms to form RhFe12 cuboctahedra that share corners with twelve equivalent RhFe12 cuboctahedra, faces with six equivalent RhFe12 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 RhFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗