SEARCH · Search NASA
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
OsTe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Os4+ is bonded to six equivalent Te2- atoms to form corner-sharing OsTe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Os–Te bond lengths are 2.68 Å. Te2- is bonded in a 4-coordinate geometry to three equivalent Os4+ and one Te2- atom. The Te–Te bond length is 2.87 Å.
NiAs2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent As1- atoms to form NiAs6 octahedra that share corners with twelve equivalent NiAs6 octahedra and corners with six equivalent AsNi3As trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ni–As bond lengths are 2.40 Å. As1- is bonded to three equivalent Ni2+ and one As1- atom to form distorted AsNi3As trigonal pyramids that share corners with three equivalent NiAs6 octahedra and corners with fifteen equivalent AsNi3As trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The As–As bond length is 2.47 Å.
MnTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent Te2- atoms to form corner-sharing MnTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Mn–Te bond lengths are 2.76 Å. Te2- is bonded in a distorted trigonal planar geometry to three equivalent Mn4+ atoms.
CoSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent Se2- atoms to form corner-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Co–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted trigonal planar geometry to three equivalent Co4+ atoms.
RhS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent S2- atoms to form RhS6 octahedra that share corners with twelve equivalent RhS6 octahedra and corners with six equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Rh–S bond lengths are 2.43 Å. S2- is bonded to three equivalent Rh4+ and one S2- atom to form distorted SRh3S tetrahedra that share corners with three equivalent RhS6 octahedra and corners with fifteen equivalent SRh3S tetrahedra. The corner-sharing octahedral tilt angles are 76°. The S–S bond length is 2.18 Å.
NiP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent P1- atoms to form NiP6 octahedra that share corners with twelve equivalent NiP6 octahedra and corners with six equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ni–P bond lengths are 2.28 Å. P1- is bonded to three equivalent Ni2+ and one P1- atom to form distorted PNi3P tetrahedra that share corners with three equivalent NiP6 octahedra and corners with fifteen equivalent PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–P bond length is 2.19 Å.
CuSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent Se+1.50- atoms to form CuSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra and corners with six equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Cu–Se bond lengths are 2.58 Å. Se+1.50- is bonded to three equivalent Cu3+ and one Se+1.50- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe6 octahedra and corners with fifteen equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 77°. The Se–Se bond length is 2.38 Å.
Bi2Pt is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Bi1+ atoms to form corner-sharing PtBi6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Pt–Bi bond lengths are 2.82 Å. Bi1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.
OsSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Os4+ is bonded to six equivalent Se2- atoms to form corner-sharing OsSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Os–Se bond lengths are 2.50 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Os4+ and one Se2- atom. The Se–Se bond length is 2.55 Å.
PtAs2 is pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent As1+ atoms to form corner-sharing PtAs6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Pt–As bond lengths are 2.53 Å. As1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.
MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. All Mg–O bond lengths are 2.11 Å. O is bonded to three equivalent Mg and one O atom to form OMg3O tetrahedra that share corners with three equivalent MgO6 octahedra and corners with fifteen equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. The O–O bond length is 1.51 Å.
MgTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Te1- atoms to form corner-sharing MgTe6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Mg–Te bond lengths are 2.98 Å. Te1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one Te1- atom. The Te–Te bond length is 2.79 Å.
PtBiTe is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Te1- atoms to form PtBi3Te3 octahedra that share corners with twelve equivalent PtBi3Te3 octahedra, corners with three equivalent BiTePt3 trigonal pyramids, and corners with three equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Bi bond lengths are 2.82 Å. All Pt–Te bond lengths are 2.77 Å. Bi3+ is bonded to three equivalent Pt2- and one Te1- atom to form distorted BiTePt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent BiTePt3 trigonal pyramids, and corners with nine equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 3.03 Å. Te1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted TeBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent TeBiPt3 trigonal pyramids, and corners with nine equivalent BiTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.
CoAsS is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four equivalent As1- and two equivalent S2- atoms to form corner-sharing CoAs4S2 octahedra. The corner-sharing octahedra tilt angles range from 61–65°. There are two shorter (2.32 Å) and two longer (2.34 Å) Co–As bond lengths. Both Co–S bond lengths are 2.25 Å. In the second Co3+ site, Co3+ is bonded to two equivalent As1- and four equivalent S2- atoms to form corner-sharing CoAs2S4 octahedra. The corner-sharing octahedra tilt angles range from 61–65°. Both Co–As bond lengths are 2.36 Å. All Co–S bond lengths are 2.35 Å. As1- is bonded in a 4-coordinate geometry to three Co3+ and one As1- atom. The As–As bond length is 2.39 Å. S2- is bonded in a 3-coordinate geometry to three Co3+ atoms.
NiAs2 is Pyrite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ni2+ is bonded to six As1- atoms to form NiAs6 octahedra that share corners with ten equivalent NiAs6 octahedra, corners with six AsNi3As tetrahedra, and an edgeedge with one NiAs6 octahedra. The corner-sharing octahedra tilt angles range from 55–65°. There are a spread of Ni–As bond distances ranging from 2.37–2.41 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to three equivalent Ni2+ and one As1- atom to form distorted AsNi3As tetrahedra that share corners with three equivalent NiAs6 octahedra and corners with fifteen AsNi3As tetrahedra. The corner-sharing octahedra tilt angles range from 71–79°. The As–As bond length is 2.49 Å. In the second As1- site, As1- is bonded to three equivalent Ni2+ and one As1- atom to form distorted AsNi3As tetrahedra that share corners with three equivalent NiAs6 octahedra, corners with thirteen AsNi3As tetrahedra, and an edgeedge with one AsNi3As tetrahedra. The corner-sharing octahedra tilt angles range from 75–84°.
Fe3(CuS5)2 is pyrite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.22–2.31 Å. In the second Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.22–2.31 Å. In the third Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.26–2.33 Å. In the fourth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.22–2.30 Å. In the fifth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with four CuS6 octahedra and corners with eight FeS6 octahedra. The corner-sharing octahedra tilt angles range from 60–67°. There are a spread of Fe–S bond distances ranging from 2.26–2.34 Å. In the sixth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 61–68°. There are a spread of Fe–S bond distances ranging from 2.22–2.31 Å. In the seventh Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.25–2.35 Å. In the eighth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.25–2.35 Å. In the ninth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with four CuS6 octahedra and corners with eight FeS6 octahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.26–2.33 Å. In the tenth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with four FeS6 octahedra, corners with eight CuS6 octahedra, and corners with two SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are two shorter (2.25 Å) and four longer (2.28 Å) Fe–S bond lengths. In the eleventh Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with six FeS6 octahedra, corners with six CuS6 octahedra, and a cornercorner with one SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.26–2.33 Å. In the twelfth Fe3+ site, Fe3+ is bonded to six S+1.20- atoms to form FeS6 octahedra that share corners with four FeS6 octahedra, corners with eight CuS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 60–68°. There are a spread of Fe–S bond distances ranging from 2.22–2.32 Å. There are eight inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with two equivalent CuS6 octahedra, corners with ten FeS6 octahedra, and a cornercorner with one SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 64–68°. There are a spread of Cu–S bond distances ranging from 2.38–2.47 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with two equivalent CuS6 octahedra, corners with ten FeS6 octahedra, and corners with two SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. There are a spread of Cu–S bond distances ranging from 2.39–2.48 Å. In the third Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with four equivalent CuS6 octahedra, corners with eight FeS6 octahedra, and corners with four SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 64–70°. There are a spread of Cu–S bond distances ranging from 2.39–2.48 Å. In the fourth Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with four CuS6 octahedra, corners with eight FeS6 octahedra, and corners with four SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. There are four shorter (2.39 Å) and two longer (2.46 Å) Cu–S bond lengths. In the fifth Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with two equivalent CuS6 octahedra, corners with ten FeS6 octahedra, and corners with two SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. There are a spread of Cu–S bond distances ranging from 2.37–2.47 Å. In the sixth Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with two equivalent CuS6 octahedra, corners with ten FeS6 octahedra, and corners with two SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Cu–S bond distances ranging from 2.36–2.47 Å. In the seventh Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with four CuS6 octahedra, corners with eight FeS6 octahedra, and corners with three SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Cu–S bond distances ranging from 2.38–2.48 Å. In the eighth Cu+1.50+ site, Cu+1.50+ is bonded to six S+1.20- atoms to form CuS6 octahedra that share corners with four equivalent CuS6 octahedra, corners with eight FeS6 octahedra, and corners with four SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 63–70°. There are four shorter (2.39 Å) and two longer (2.46 Å) Cu–S bond lengths. There are forty inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a 3-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.20 Å. In the second S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.15 Å. In the third S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.17 Å. In the fourth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.20 Å. In the fifth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.14 Å. In the sixth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to three Fe3+ and one S+1.20- atom. The S–S bond length is 2.20 Å. In the seventh S+1.20- site, S+1.20- is bonded to one Fe3+, two Cu+1.50+, and one S+1.20- atom to form distorted SFeCu2S tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with six SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 69–80°. The S–S bond length is 2.09 Å. In the eighth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.14 Å. In the ninth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.16 Å. In the tenth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.11 Å. In the eleventh S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to three Fe3+ and one S+1.20- atom. The S–S bond length is 2.19 Å. In the twelfth S+1.20- site, S+1.20- is bonded to two Fe3+, one Cu+1.50+, and one S+1.20- atom to form distorted SFe2CuS tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with two SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 72–81°. The S–S bond length is 2.11 Å. In the thirteenth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to one Fe3+, two Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.10 Å. In the fourteenth S+1.20- site, S+1.20- is bonded to one Fe3+, two Cu+1.50+, and one S+1.20- atom to form distorted SFeCu2S tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with three SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 70–79°. The S–S bond length is 2.07 Å. In the fifteenth S+1.20- site, S+1.20- is bonded to one Fe3+, two Cu+1.50+, and one S+1.20- atom to form distorted SFeCu2S tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with seven SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 69–80°. The S–S bond length is 2.08 Å. In the sixteenth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.16 Å. In the seventeenth S+1.20- site, S+1.20- is bonded to two Fe3+, one Cu+1.50+, and one S+1.20- atom to form distorted SFe2CuS tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and a cornercorner with one SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 72–81°. The S–S bond length is 2.11 Å. In the eighteenth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.15 Å. In the nineteenth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to one Fe3+, two Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.12 Å. In the twentieth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to one Fe3+, two Cu+1.50+, and one S+1.20- atom. The S–S bond length is 2.09 Å. In the twenty-first S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. In the twenty-second S+1.20- site, S+1.20- is bonded to one Fe3+, two Cu+1.50+, and one S+1.20- atom to form distorted SFeCu2S tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with three SFeCu2S tetrahedra. The corner-sharing octahedra tilt angles range from 70–79°. In the twenty-third S+1.20- site, S+1.20- is bonded to two Fe3+, one Cu+1.50+, and one S+1.20- atom to form distorted SFe2CuS tetrahedra that share a cornercorner with one FeS6 octahedra, corners with two CuS6 octahedra, and corners with two SFe2CuS tetrahedra. The corner-sharing octahedra tilt angles range from 72–82°. In the twenty-fourth S+1.20- site, S+1.20- is bonded in a 4-coordinate geometry to two Fe3+, one Cu+1.50+, and one S+1.20- atom. In the tw
(CrO4)4(C4NH11)3(CN3H6)4C4NH10 is Pyrite structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four cq4 molecules, four guanidinium molecules, one tetramethylammonium molecule, and three tetramethylammonium molecules.
PtP2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent P1+ atoms to form corner-sharing PtP6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Pt–P bond lengths are 2.42 Å. P1+ is bonded in a trigonal non-coplanar geometry to three equivalent Pt2- atoms.