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At least 199 records · Page 11
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DOE OSTI2020

Materials Data on MgSnO6 by Materials Project

MgSnO6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.02 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.07 Å. O is bonded in a linear geometry to one Mg and one Sn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnI3 by Materials Project

SnI3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn3+ is bonded to six equivalent I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–I bond lengths are 3.01 Å. I1- is bonded in a linear geometry to two equivalent Sn3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReO5 by Materials Project

(ReO4)2O2 is Silicon tetrafluoride-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four rhenium;tetrahydrate molecules and four water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdRe2(NO2)4 by Materials Project

Cd(ReO4)2(N2)2 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four cadmium molecules, and eight rhenium;tetrahydrate molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbO3 by Materials Project

NbO3 is alpha Rhenium trioxide-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nb is bonded to six O atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There is one shorter (1.99 Å) and five longer (2.00 Å) Nb–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the third O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the fourth O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the fifth O site, O is bonded in a linear geometry to two equivalent Nb atoms. Both O–Nb bond lengths are 1.99 Å. In the sixth O site, O is bonded in a linear geometry to two equivalent Nb atoms. Both O–Nb bond lengths are 2.00 Å. In the seventh O site, O is bonded in a linear geometry to two equivalent Nb atoms. In the eighth O site, O is bonded in a linear geometry to two equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPt(CN)6 by Materials Project

PtZn(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded in an octahedral geometry to six equivalent C3+ atoms. All Pt–C bond lengths are 2.02 Å. Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.16 Å. C3+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaPH6 by Materials Project

NaPH6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent H+0.33+ atoms to form NaH6 octahedra that share corners with six equivalent PH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–H bond lengths are 2.23 Å. P3- is bonded to six equivalent H+0.33+ atoms to form PH6 octahedra that share corners with six equivalent NaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All P–H bond lengths are 1.49 Å. H+0.33+ is bonded in a linear geometry to one Na1+ and one P3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3Co2(CN)12 by Materials Project

Cd(CoCd(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one cadmium molecule and one CoCd(CN)6 framework. In the CoCd(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.27–2.41 Å. There are three inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlF3 by Materials Project

AlF3 is alpha Rhenium trioxide-like structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six equivalent F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Al–F bond lengths are 1.82 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. All Al–F bond lengths are 1.82 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re2Sb4O13 by Materials Project

Sb4Re2O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two rhenium;tetrahydrate molecules and one ReSb4O9 sheet oriented in the (0, 1, 0) direction. In the ReSb4O9 sheet, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.77 Å) Re–O bond length. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.15 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.16 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.64 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.07 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Sb3+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2F3 by Materials Project

TlTlF3 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one thallium molecule and one TlF3 framework. In the TlF3 framework, Tl is bonded to six equivalent F atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.36 Å. F is bonded in a linear geometry to two equivalent Tl atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnRe(CO)10 by Materials Project

ReMn(CO)5(CO)5 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules, four rhenium molecules, and four Mn(CO)5 clusters. In each Mn(CO)5 cluster, Mn2+ is bonded in a square pyramidal geometry to five C+1.40+ atoms. There are a spread of Mn–C bond distances ranging from 1.81–1.87 Å. There are five inequivalent C+1.40+ sites. In the first C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReNO4 by Materials Project

(ReO4)2N2 is Iron carbide-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four ammonia molecules and four rhenium;tetrahydrate molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiPt(CN)6 by Materials Project

PtNi(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded in an octahedral geometry to six equivalent C3+ atoms. All Pt–C bond lengths are 2.02 Å. Ni2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Ni–N bond lengths are 2.04 Å. C3+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Ni2+ and one C3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScF3 by Materials Project

ScF3 is alpha Rhenium trioxide-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent F1- atoms to form corner-sharing ScF6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Sc–F bond lengths are 2.04 Å. F1- is bonded in a linear geometry to two equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReF6 by Materials Project

ReF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four rhenium hexafluoride molecules. Re6+ is bonded in an octahedral geometry to six F1- atoms. All Re–F bond lengths are 1.87 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdRe2H26C6S6(N4O3)3 by Materials Project

(ReO4)2CdC6H24(N2S)6H2O crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight rhenium;tetrahydrate molecules, four water molecules, and four CdC6H24(N2S)6 clusters. In each CdC6H24(N2S)6 cluster, Cd2+ is bonded in an octahedral geometry to six S2- atoms. There are four shorter (2.72 Å) and two longer (2.84 Å) Cd–S bond lengths. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.33 Å) and one longer (1.34 Å) C–N bond length. The C–S bond length is 1.72 Å. In the third C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.33 Å) and one longer (1.34 Å) C–N bond length. The C–S bond length is 1.72 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fifth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Cd2+ and one C4+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Cd2+ and one C4+ atom. In the third S2- site, S2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InRe2(CO)9 by Materials Project

(Re)2In(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four indium molecules, and eight rhenium molecules.

36 MATERIALS SCIENCE↗