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At least 199 records · Page 11

Materials Data on V2InC by Materials Project

V2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All V–In bond lengths are 2.93 Å. All V–C bond lengths are 2.04 Å. In is bonded to six equivalent V and six equivalent In atoms to form InV6In6 cuboctahedra that share corners with six equivalent InV6In6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent InV6In6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent InV6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.02 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent InV6In6 cuboctahedra, edges with six equivalent InV6In6 cuboctahedra, and edges with six equivalent CV6 octahedra.

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Materials Data on Ta2InC by Materials Project

Ta2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ta–In bond lengths are 3.04 Å. All Ta–C bond lengths are 2.19 Å. In is bonded to six equivalent Ta and six equivalent In atoms to form distorted InTa6In6 cuboctahedra that share corners with six equivalent InTa6In6 cuboctahedra, corners with six equivalent CTa6 octahedra, edges with six equivalent InTa6In6 cuboctahedra, edges with six equivalent CTa6 octahedra, and faces with six equivalent InTa6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.17 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent InTa6In6 cuboctahedra, edges with six equivalent InTa6In6 cuboctahedra, and edges with six equivalent CTa6 octahedra.

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Materials Data on Hf2InC by Materials Project

Hf2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Hf–In bond lengths are 3.16 Å. All Hf–C bond lengths are 2.27 Å. In is bonded to six equivalent Hf atoms to form distorted InHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent InHf6 cuboctahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.

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Materials Data on LiIn by Materials Project

LiIn is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two LiIn frameworks. Li is bonded to four equivalent In atoms to form distorted corner-sharing LiIn4 tetrahedra. All Li–In bond lengths are 2.99 Å. In is bonded to four equivalent Li atoms to form distorted corner-sharing InLi4 tetrahedra.

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Materials Data on Gd2CBr by Materials Project

Gd2CBr is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Br atoms to form a mixture of distorted corner, edge, and face-sharing GdC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. All Gd–C bond lengths are 2.51 Å. All Gd–Br bond lengths are 3.15 Å. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. Br is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

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Materials Data on Ca2IN by Materials Project

Ca2NI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to three equivalent N3- and three equivalent I1- atoms. All Ca–N bond lengths are 2.51 Å. All Ca–I bond lengths are 3.30 Å. N3- is bonded to six equivalent Ca2+ atoms to form edge-sharing NCa6 octahedra. I1- is bonded in a 6-coordinate geometry to six equivalent Ca2+ atoms.

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Materials Data on Gd2CI by Materials Project

Gd2CI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to three equivalent C and three equivalent I atoms. All Gd–C bond lengths are 2.55 Å. All Gd–I bond lengths are 3.31 Å. C is bonded to six equivalent Gd atoms to form edge-sharing CGd6 octahedra. I is bonded in a 6-coordinate geometry to six equivalent Gd atoms.

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Materials Data on Ti2CS by Materials Project

Ti2SC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge, face, and corner-sharing TiC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. All Ti–C bond lengths are 2.16 Å. All Ti–S bond lengths are 2.51 Å. C4- is bonded to six equivalent Ti3+ atoms to form CTi6 octahedra that share corners with six equivalent STi6 pentagonal pyramids, edges with six equivalent CTi6 octahedra, and edges with six equivalent STi6 pentagonal pyramids. S2- is bonded to six equivalent Ti3+ atoms to form distorted STi6 pentagonal pyramids that share corners with six equivalent CTi6 octahedra, edges with six equivalent CTi6 octahedra, and edges with six equivalent STi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°.

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Materials Data on NaNbO2 by Materials Project

NaNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent NbO6 pentagonal pyramids, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. All Na–O bond lengths are 2.36 Å. Nb3+ is bonded to six equivalent O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Nb–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Na1+ and three equivalent Nb3+ atoms to form a mixture of edge, corner, and face-sharing ONa3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–47°.

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Materials Data on Ti2SnC by Materials Project

Ti2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Ti–Sn bond lengths are 2.97 Å. All Ti–C bond lengths are 2.15 Å. Sn is bonded to six equivalent Ti atoms to form distorted SnTi6 cuboctahedra that share corners with six equivalent CTi6 octahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra. The corner-sharing octahedral tilt angles are 21°. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent SnTi6 cuboctahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

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Materials Data on Zr2AlC by Materials Project

Zr2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Zr–Al bond lengths are 3.06 Å. All Zr–C bond lengths are 2.30 Å. Al is bonded in a 6-coordinate geometry to six equivalent Zr atoms. C is bonded to six equivalent Zr atoms to form edge-sharing CZr6 octahedra.

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Materials Data on LiNbO2 by Materials Project

LiNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent NbO6 pentagonal pyramids, edges with six equivalent LiO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. All Li–O bond lengths are 2.14 Å. Nb3+ is bonded to six equivalent O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. All Nb–O bond lengths are 2.16 Å. O2- is bonded to three equivalent Li1+ and three equivalent Nb3+ atoms to form a mixture of face, edge, and corner-sharing OLi3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–46°.

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Materials Data on Zr2SnC by Materials Project

Zr2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Zr–Sn bond lengths are 3.12 Å. All Zr–C bond lengths are 2.32 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Zr atoms. C is bonded to six equivalent Zr atoms to form edge-sharing CZr6 octahedra.

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Materials Data on Zr2AlN by Materials Project

Zr2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Zr–Al bond lengths are 2.99 Å. All Zr–N bond lengths are 2.28 Å. Al is bonded in a 6-coordinate geometry to six equivalent Zr atoms. N is bonded to six equivalent Zr atoms to form edge-sharing NZr6 octahedra.

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Materials Data on Hf2SnC by Materials Project

Hf2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Hf–Sn bond lengths are 3.08 Å. All Hf–C bond lengths are 2.29 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Hf atoms. C is bonded to six equivalent Hf atoms to form edge-sharing CHf6 octahedra.

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Materials Data on Ti2AlN by Materials Project

Ti2AlN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Ti–Al bond lengths are 2.84 Å. All Ti–N bond lengths are 2.09 Å. Al is bonded to six equivalent Ti and six equivalent Al atoms to form AlTi6Al6 cuboctahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, corners with six equivalent NTi6 octahedra, edges with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent NTi6 octahedra, and faces with six equivalent AlTi6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. All Al–Al bond lengths are 3.00 Å. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent AlTi6Al6 cuboctahedra, and edges with six equivalent NTi6 octahedra.

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Materials Data on Zr2CS by Materials Project

Zr2SC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge, face, and corner-sharing ZrC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. All Zr–C bond lengths are 2.33 Å. All Zr–S bond lengths are 2.70 Å. C4- is bonded to six equivalent Zr3+ atoms to form CZr6 octahedra that share corners with six equivalent SZr6 pentagonal pyramids, edges with six equivalent CZr6 octahedra, and edges with six equivalent SZr6 pentagonal pyramids. S2- is bonded to six equivalent Zr3+ atoms to form distorted SZr6 pentagonal pyramids that share corners with six equivalent CZr6 octahedra, edges with six equivalent CZr6 octahedra, and edges with six equivalent SZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°.

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Materials Data on Zr2SbP by Materials Project

Zr2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, face, and corner-sharing ZrSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Zr–Sb bond lengths are 2.97 Å. All Zr–P bond lengths are 2.61 Å. Sb3- is bonded to six equivalent Zr3+ atoms to form distorted SbZr6 pentagonal pyramids that share corners with six equivalent PZr6 octahedra, edges with six equivalent PZr6 octahedra, and edges with six equivalent SbZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P3- is bonded to six equivalent Zr3+ atoms to form PZr6 octahedra that share corners with six equivalent SbZr6 pentagonal pyramids, edges with six equivalent PZr6 octahedra, and edges with six equivalent SbZr6 pentagonal pyramids.

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