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At least 775 records · Page 43
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DOE OSTI2020

Materials Data on P4Os by Materials Project

OsP4 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.37–2.41 Å. In the second Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with two equivalent OsP6 octahedra, corners with fourteen PP2Os2 tetrahedra, and an edgeedge with one OsP6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.35–2.43 Å. There are six inequivalent P1- sites. In the first P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with three OsP6 octahedra, corners with eleven PP2Os2 tetrahedra, and an edgeedge with one PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–71°. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the third P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–79°. The P–P bond length is 2.33 Å. In the fifth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with four OsP6 octahedra and corners with ten PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 44–78°. There are one shorter (2.21 Å) and one longer (2.33 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–80°.

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DOE OSTI2020

Materials Data on TiNbOs2 by Materials Project

TiNbOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiNbOs2 ribbons oriented in the (1, 0, 0) direction. Ti2+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Ti–Os bond lengths are 2.31 Å. Nb2+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Nb–Os bond lengths are 2.32 Å. Os2- is bonded in a linear geometry to one Ti2+ and one Nb2+ atom.

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Materials Data on VGaOs2 by Materials Project

VOs2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms. All V–Os bond lengths are 2.63 Å. Os2- is bonded in a body-centered cubic geometry to four equivalent V2+ and four equivalent Ga2+ atoms. All Os–Ga bond lengths are 2.63 Å. Ga2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms.

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Materials Data on TaInOs2 by Materials Project

TaOs2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaOs2In ribbons oriented in the (1, 0, 0) direction. Ta3+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Ta–Os bond lengths are 2.20 Å. Os2- is bonded in a linear geometry to one Ta3+ and one In1+ atom. The Os–In bond length is 2.66 Å. In1+ is bonded in a linear geometry to two equivalent Os2- atoms.

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DOE OSTI2020

Materials Data on KOsBr4NO2 by Materials Project

KOsNO2(Br)4 is Cubane-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules and four KOsNO2 clusters. In each KOsNO2 cluster, K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.84 Å. Os4+ is bonded in a linear geometry to one N3- and one O2- atom. The Os–N bond length is 1.91 Å. The Os–O bond length is 1.75 Å. N3- is bonded in a linear geometry to one Os4+ and one O2- atom. The N–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Os4+ atom.

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Materials Data on SbTeOs by Materials Project

OsSbTe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os1- is bonded to three equivalent Sb3+ and three equivalent Te2- atoms to form a mixture of distorted edge and corner-sharing OsSb3Te3 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Os–Sb bond distances ranging from 2.69–2.72 Å. There are one shorter (2.62 Å) and two longer (2.63 Å) Os–Te bond lengths. Sb3+ is bonded in a 4-coordinate geometry to three equivalent Os1- and one Te2- atom. The Sb–Te bond length is 2.94 Å. Te2- is bonded in a 4-coordinate geometry to three equivalent Os1- and one Sb3+ atom.

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Materials Data on PrPOs2C by Materials Project

PrOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Pr–C bond lengths are 2.72 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.89 Å. There are one shorter (2.45 Å) and two longer (2.53 Å) Os–P bond lengths. C4- is bonded to four equivalent Pr3+ and two equivalent Os2- atoms to form a mixture of edge and corner-sharing CPr4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

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Materials Data on CsOsC3(ClO)3 by Materials Project

CsOsC3(OCl)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to one O2- and seven Cl1- atoms. The Cs–O bond length is 3.42 Å. There are a spread of Cs–Cl bond distances ranging from 3.49–3.79 Å. Os2- is bonded in an octahedral geometry to three C+3.33+ and three Cl1- atoms. There is two shorter (1.89 Å) and one longer (1.90 Å) Os–C bond length. There are a spread of Os–Cl bond distances ranging from 2.45–2.47 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+3.33+ site, C+3.33+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+3.33+ site, C+3.33+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one C+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+3.33+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one Os2- atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Os2- atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one Os2- atom.

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Materials Data on POsSe by Materials Project

OsPSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os5+ is bonded to three equivalent P3- and three equivalent Se2- atoms to form OsP3Se3 octahedra that share corners with eight equivalent OsP3Se3 octahedra, corners with three equivalent POs3Se tetrahedra, corners with three equivalent SePOs3 tetrahedra, and edges with two equivalent OsP3Se3 octahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are one shorter (2.40 Å) and two longer (2.41 Å) Os–P bond lengths. All Os–Se bond lengths are 2.47 Å. P3- is bonded to three equivalent Os5+ and one Se2- atom to form distorted POs3Se tetrahedra that share corners with three equivalent OsP3Se3 octahedra, corners with four equivalent POs3Se tetrahedra, corners with nine equivalent SePOs3 tetrahedra, and an edgeedge with one POs3Se tetrahedra. The corner-sharing octahedra tilt angles range from 64–72°. The P–Se bond length is 2.45 Å. Se2- is bonded to three equivalent Os5+ and one P3- atom to form SePOs3 tetrahedra that share corners with three equivalent OsP3Se3 octahedra, corners with four equivalent SePOs3 tetrahedra, corners with nine equivalent POs3Se tetrahedra, and an edgeedge with one SePOs3 tetrahedra. The corner-sharing octahedra tilt angles range from 73–82°.

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Materials Data on LiTaOs2 by Materials Project

LiTaOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiTaOs2 ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Li–Os bond lengths are 2.64 Å. Ta3+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Ta–Os bond lengths are 2.24 Å. Os2- is bonded in a linear geometry to one Li1+ and one Ta3+ atom.

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Materials Data on Nb2B2Os by Materials Project

Nb2OsB2 is Tungsten boride-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Nb4+ is bonded in a 10-coordinate geometry to four equivalent Os2- and six equivalent B3- atoms. There are two shorter (2.74 Å) and two longer (2.85 Å) Nb–Os bond lengths. There are a spread of Nb–B bond distances ranging from 2.42–2.49 Å. Os2- is bonded in a 12-coordinate geometry to eight equivalent Nb4+ and four equivalent B3- atoms. All Os–B bond lengths are 2.40 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Nb4+, two equivalent Os2-, and one B3- atom. The B–B bond length is 1.90 Å.

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Materials Data on MnVOs2 by Materials Project

VMnOs2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VMnOs2 ribbons oriented in the (1, 0, 0) direction. V2+ is bonded in a linear geometry to two equivalent Os2- atoms. Both V–Os bond lengths are 2.13 Å. Mn2+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Mn–Os bond lengths are 2.52 Å. Os2- is bonded in a linear geometry to one V2+ and one Mn2+ atom.

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Materials Data on RbOsN2 by Materials Project

RbOsN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.18–3.42 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.08–3.45 Å. There are two inequivalent Os5+ sites. In the first Os5+ site, Os5+ is bonded to four N3- atoms to form corner-sharing OsN4 tetrahedra. There is two shorter (1.86 Å) and two longer (1.89 Å) Os–N bond length. In the second Os5+ site, Os5+ is bonded to four N3- atoms to form corner-sharing OsN4 tetrahedra. There are a spread of Os–N bond distances ranging from 1.85–1.91 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Os5+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Os5+ atoms. In the third N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Os5+ atoms. In the fourth N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Os5+ atoms.

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Materials Data on PuB2Os3 by Materials Project

PuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to two equivalent Pu3+ and twelve equivalent Os1- atoms to form distorted PuPu2Os12 cuboctahedra that share corners with fourteen equivalent PuPu2Os12 cuboctahedra, edges with six equivalent PuPu2Os12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent PuPu2Os12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. Both Pu–Pu bond lengths are 2.97 Å. All Pu–Os bond lengths are 3.17 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Pu3+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six equivalent Os1- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent PuPu2Os12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent PuPu2Os12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.

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Materials Data on Zr4Os2C by Materials Project

Zr4Os2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded in a distorted hexagonal planar geometry to six equivalent Os2- atoms. All Zr–Os bond lengths are 2.72 Å. In the second Zr2+ site, Zr2+ is bonded in a 2-coordinate geometry to two equivalent Os2- and two equivalent C4- atoms. Both Zr–Os bond lengths are 2.95 Å. Both Zr–C bond lengths are 2.35 Å. Os2- is bonded in a 12-coordinate geometry to six Zr2+ atoms. C4- is bonded to six equivalent Zr2+ atoms to form corner-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 39°.

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Materials Data on OsN by Materials Project

OsN crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two OsN sheets oriented in the (0, 1, 0) direction. there are two inequivalent Os3+ sites. In the first Os3+ site, Os3+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Both Os–N bond lengths are 2.06 Å. In the second Os3+ site, Os3+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Os–N bond distances ranging from 2.07–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three Os3+ and one N3- atom to form distorted corner-sharing NOs3N tetrahedra. The N–N bond length is 1.42 Å. In the second N3- site, N3- is bonded to three equivalent Os3+ and one N3- atom to form distorted corner-sharing NOs3N tetrahedra.

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Materials Data on CePOs2C by Materials Project

CeOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Ce–C bond lengths are 2.68 Å. Os2- is bonded in a distorted single-bond geometry to one C4- and three equivalent P5+ atoms. The Os–C bond length is 1.90 Å. There are one shorter (2.44 Å) and two longer (2.49 Å) Os–P bond lengths. C4- is bonded to four equivalent Ce3+ and two equivalent Os2- atoms to form a mixture of corner and edge-sharing CCe4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°. P5+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms.

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Materials Data on ThSiOs2C by Materials Project

ThOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. All Th–C bond lengths are 2.75 Å. Os2- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one C4- atom. There are one shorter (2.51 Å) and two longer (2.53 Å) Os–Si bond lengths. The Os–C bond length is 1.90 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms. C4- is bonded to four equivalent Th4+ and two equivalent Os2- atoms to form a mixture of edge and corner-sharing CTh4Os2 octahedra. The corner-sharing octahedral tilt angles are 25°.

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