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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrVF6 by Materials Project

VZrF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. V2+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.11 Å. F1- is bonded in a linear geometry to one Zr4+ and one V2+ atom.

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Materials Data on HfVF6 by Materials Project

HfVF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–F bond lengths are 2.01 Å. V2+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 2.11 Å. F1- is bonded in a linear geometry to one Hf4+ and one V2+ atom.

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Materials Data on WO3 by Materials Project

WO3 is High-temperature superconductor-like structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of W–O bond distances ranging from 1.85–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

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Materials Data on NaSbF6 by Materials Project

NaSbF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.32 Å. Sb5+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–F bond lengths are 1.92 Å. F1- is bonded in a linear geometry to one Na1+ and one Sb5+ atom.

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Materials Data on Ba2GdSbO6 by Materials Project

Ba2GdSbO6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four antimony molecules, four gadolinium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.30 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.

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Materials Data on NaInH8(NF3)2 by Materials Project

NaInF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaInF6 framework. In the NaInF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.26 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a linear geometry to one Na1+ and one In3+ atom.

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Materials Data on NaCrH8(NF3)2 by Materials Project

(NH4)2NaCrF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaCrF6 framework. In the NaCrF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.95 Å. F1- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.

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Materials Data on NbO2F by Materials Project

NbO2F is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to four O2- and two F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There is three shorter (1.94 Å) and one longer (2.01 Å) Nb–O bond length. There are one shorter (1.99 Å) and one longer (2.10 Å) Nb–F bond lengths. In the second Nb5+ site, Nb5+ is bonded to four O2- and two equivalent F1- atoms to form distorted corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There is two shorter (1.86 Å) and two longer (1.97 Å) Nb–O bond length. Both Nb–F bond lengths are 2.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two Nb5+ atoms.

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Materials Data on H(WO3)2 by Materials Project

(WO3)4H2 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one hydrogen molecule and one WO3 framework. In the WO3 framework, there are two inequivalent W+5.50+ sites. In the first W+5.50+ site, W+5.50+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of W–O bond distances ranging from 1.87–2.02 Å. In the second W+5.50+ site, W+5.50+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of W–O bond distances ranging from 1.87–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two W+5.50+ atoms.

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Materials Data on NbO2F by Materials Project

NbO2F is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to three O2- and three F1- atoms to form corner-sharing NbO3F3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There is one shorter (1.84 Å) and two longer (1.93 Å) Nb–O bond length. There are two shorter (2.02 Å) and one longer (2.20 Å) Nb–F bond lengths. In the second Nb5+ site, Nb5+ is bonded to five O2- and one F1- atom to form corner-sharing NbO5F octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Nb–O bond distances ranging from 1.99–2.02 Å. The Nb–F bond length is 2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Nb5+ atoms.

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Materials Data on ReO3 by Materials Project

ReO3 is High-temperature superconductor-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Re–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to two equivalent Re6+ atoms.

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Materials Data on NbO2F by Materials Project

NbO2F is High-temperature superconductor-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to four O2- and two F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Nb–O bond distances ranging from 1.91–2.03 Å. There are one shorter (2.05 Å) and one longer (2.09 Å) Nb–F bond lengths. In the second Nb5+ site, Nb5+ is bonded to four O2- and two F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Nb–O bond distances ranging from 1.88–2.08 Å. There are one shorter (2.00 Å) and one longer (2.15 Å) Nb–F bond lengths. In the third Nb5+ site, Nb5+ is bonded to four O2- and two F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are a spread of Nb–O bond distances ranging from 1.84–2.01 Å. There are one shorter (2.16 Å) and one longer (2.25 Å) Nb–F bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Nb5+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two Nb5+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms.

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Materials Data on Nb5OF14 by Materials Project

Nb5OF14 is High-temperature superconductor-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Nb+3.20+ sites. In the first Nb+3.20+ site, Nb+3.20+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Nb–F bond distances ranging from 2.08–2.11 Å. In the second Nb+3.20+ site, Nb+3.20+ is bonded to one O2- and five F1- atoms to form corner-sharing NbOF5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Nb–O bond length is 1.90 Å. There are a spread of Nb–F bond distances ranging from 2.08–2.17 Å. In the third Nb+3.20+ site, Nb+3.20+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Nb–F bond distances ranging from 2.07–2.11 Å. O2- is bonded in a linear geometry to two equivalent Nb+3.20+ atoms. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Nb+3.20+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the seventh F1- site, F1- is bonded in a linear geometry to two Nb+3.20+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two equivalent Nb+3.20+ atoms.

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Materials Data on RbMgH12(ClO2)3 by Materials Project

RbCl3Mg(H2O)6 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two magnesium;hexahydrate molecules and one RbCl3 framework. In the RbCl3 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Rb–Cl bond distances ranging from 3.29–3.44 Å. In the second Rb1+ site, Rb1+ is bonded to six Cl1- atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. There are a spread of Rb–Cl bond distances ranging from 3.28–3.47 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to two Rb1+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ atoms.

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Materials Data on WO2F by Materials Project

WO2F is High-temperature superconductor-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W5+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There is two shorter (1.87 Å) and two longer (2.02 Å) W–O bond length. Both W–F bond lengths are 2.08 Å. O2- is bonded in a linear geometry to two equivalent W5+ atoms. F1- is bonded in a linear geometry to two equivalent W5+ atoms.

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Materials Data on CsCu3S2 by Materials Project

CsCu3S2 is High-temperature superconductor-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent S2- atoms to form edge-sharing CsS6 octahedra. All Cs–S bond lengths are 3.59 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SCs3Cu3 octahedra. The corner-sharing octahedra tilt angles range from 0–83°.

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Materials Data on CaSnF6 by Materials Project

CaSnF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–F bond lengths are 2.27 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–F bond lengths are 2.00 Å. F1- is bonded in a linear geometry to one Ca2+ and one Sn4+ atom.

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Materials Data on SnF3 by Materials Project

SnF3 is High-temperature superconductor-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six equivalent F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–F bond lengths are 2.01 Å. In the second Sn3+ site, Sn3+ is bonded to six equivalent F1- atoms to form corner-sharing SnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–F bond lengths are 2.39 Å. F1- is bonded in a linear geometry to two Sn3+ atoms.

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