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Materials Data on La3OsO7 by Materials Project

La3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.79 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of La–O bond distances ranging from 2.34–2.64 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are four shorter (1.99 Å) and two longer (2.02 Å) Os–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os5+ atoms.

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Materials Data on Pr3OsO7 by Materials Project

Pr3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.77 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to seven O2- atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent PrO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent PrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Pr–O bond distances ranging from 2.33–2.61 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent PrO7 pentagonal bipyramids, and edges with four equivalent PrO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are four shorter (1.99 Å) and two longer (2.01 Å) Os–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Os5+ atoms. In the second O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Pr3+ and one Os5+ atom.

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Materials Data on Li7OsO6 by Materials Project

Li7OsO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent OsO6 octahedra, corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one OsO6 octahedra, and edges with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–60°. There are a spread of Li–O bond distances ranging from 1.91–2.03 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.05–2.64 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent OsO6 octahedra, corners with three equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one OsO6 octahedra, and edges with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–57°. There are a spread of Li–O bond distances ranging from 1.91–2.00 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent OsO6 octahedra, corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one OsO6 octahedra, and edges with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–58°. There are a spread of Li–O bond distances ranging from 1.89–2.06 Å. In the fifth Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with ten LiO4 tetrahedra, edges with three equivalent OsO6 octahedra, and edges with five LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.09–2.47 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent OsO6 octahedra, corners with three equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one OsO6 octahedra, and edges with three LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–56°. There are a spread of Li–O bond distances ranging from 1.86–2.03 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent OsO6 octahedra, corners with six LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, an edgeedge with one OsO6 octahedra, and edges with two LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–62°. There are a spread of Li–O bond distances ranging from 1.88–2.01 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with ten LiO4 tetrahedra, edges with three equivalent LiO6 octahedra, and edges with five LiO4 tetrahedra. There are a spread of Os–O bond distances ranging from 1.99–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to five Li1+ and one Os5+ atom to form a mixture of distorted corner and edge-sharing OLi5Os pentagonal pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Os5+ atom. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six Li1+ and one Os5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Os5+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Os5+ atom. In the sixth O2- site, O2- is bonded to six Li1+ and one Os5+ atom to form a mixture of distorted corner and edge-sharing OLi6Os pentagonal bipyramids.

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Materials Data on CeSiOs by Materials Project

CeOsSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (3.11 Å) and one longer (3.35 Å) Ce–Si bond lengths. Os1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing OsSi4 tetrahedra. All Os–Si bond lengths are 2.47 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ce3+ and four equivalent Os1+ atoms.

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Materials Data on Ag13OsO6 by Materials Project

Ag13OsO6 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Os1- is bonded in an octahedral geometry to six equivalent O2- atoms. All Os–O bond lengths are 1.92 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a cuboctahedral geometry to twelve equivalent Ag1+ atoms. All Ag–Ag bond lengths are 2.84 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+ and two equivalent O2- atoms. Both Ag–O bond lengths are 2.51 Å. O2- is bonded in a 1-coordinate geometry to one Os1- and four equivalent Ag1+ atoms.

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Materials Data on KH18OsN6(ClO2)4 by Materials Project

K(O2Cl)4OsN6H18 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three OsN6H18 clusters and three K(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each OsN6H18 cluster, Os3+ is bonded in an octahedral geometry to six equivalent N+0.33- atoms. All Os–N bond lengths are 2.13 Å. N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Os3+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.33- atom. In each K(O2Cl)4 sheet, K1+ is bonded in a body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All K–O bond lengths are 2.95 Å. Both K–Cl bond lengths are 3.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Cl1- atom. The O–Cl bond length is 1.47 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ atom.

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Materials Data on Sm3OsO7 by Materials Project

Sm3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.72 Å) Sm–O bond lengths. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent SmO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Sm–O bond distances ranging from 2.28–2.57 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There is four shorter (1.98 Å) and two longer (1.99 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Os5+ atoms. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Os5+ atom.

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Materials Data on Sr2CuOsO6 by Materials Project

Sr2CuOsO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.73 Å) Sr–O bond lengths. Os7+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There is four shorter (1.92 Å) and two longer (1.96 Å) Os–O bond length. Cu1+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are four shorter (2.02 Å) and two longer (2.37 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Os7+, and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OSr4CuOs octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Os7+, and one Cu1+ atom.

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Materials Data on OsO4 by Materials Project

OsO4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two OsO4 clusters. Os8+ is bonded in a tetrahedral geometry to four O2- atoms. All Os–O bond lengths are 1.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom.

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Materials Data on Ba5Os3ClO15 by Materials Project

Ba5(OsO5)3Cl crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to nine O2- and two equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.27 Å. There are one shorter (3.46 Å) and one longer (3.65 Å) Ba–Cl bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.83 Å. Os7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.75 Å) and four longer (1.87 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+ and one Os7+ atom. In the second O2- site, O2- is bonded to three Ba2+ and one Os7+ atom to form a mixture of distorted edge and corner-sharing OBa3Os tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+, one Os7+, and one Cl1- atom. The O–Cl bond length is 3.47 Å. Cl1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ and three equivalent O2- atoms.

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Materials Data on Na3OsO5 by Materials Project

Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.

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Materials Data on K2OsCBr5O by Materials Project

K2OsCOBr5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of K–Br bond distances ranging from 3.54–4.03 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of K–Br bond distances ranging from 3.54–4.00 Å. Os1+ is bonded in a distorted square pyramidal geometry to five Br1- atoms. There are a spread of Os–Br bond distances ranging from 2.52–2.64 Å. C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.17 Å. O2- is bonded in a single-bond geometry to one C4+ and two Br1- atoms. There are one shorter (3.47 Å) and one longer (3.51 Å) O–Br bond lengths. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to four K1+, one Os1+, and one O2- atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four K1+ and one Os1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four K1+, one Os1+, and one O2- atom. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to four K1+ and one Os1+ atom. In the fifth Br1- site, Br1- is bonded in a 1-coordinate geometry to four K1+ and one Os1+ atom.

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Materials Data on Eu3OsO7 by Materials Project

Eu3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.78 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.86 Å. Os5+ is bonded to six O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There is two shorter (1.92 Å) and four longer (1.93 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Os5+ atoms. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Os5+ atom.

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Materials Data on LuOs3 by Materials Project

LuOs3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent Os1- atoms to form a mixture of face and corner-sharing LuOs12 cuboctahedra. There are six shorter (2.85 Å) and six longer (2.86 Å) Lu–Os bond lengths. Os1- is bonded in a distorted see-saw-like geometry to four equivalent Lu3+ atoms.

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Materials Data on SrLa6OsI12 by Materials Project

SrLa6OsI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Sr–I bond lengths are 3.29 Å. La2+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one SrI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.88 Å. There are a spread of La–I bond distances ranging from 3.25–3.52 Å. Os2- is bonded in an octahedral geometry to six equivalent La2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La2+ atoms.

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Materials Data on OsN2 by Materials Project

OsN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os6+ is bonded to six N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Os–N bond distances ranging from 2.06–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. The N–N bond length is 1.43 Å. In the second N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°.

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Materials Data on Cd2Os(CN)6 by Materials Project

OsCd2(CN)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Os2- is bonded in an octahedral geometry to six equivalent C+2.67+ atoms. All Os–C bond lengths are 2.01 Å. Cd2+ is bonded to six equivalent N3- atoms to form edge-sharing CdN6 octahedra. All Cd–N bond lengths are 2.39 Å. C+2.67+ is bonded in a linear geometry to one Os2- and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+2.67+ atom.

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Materials Data on Mn2Os(CN)6 by Materials Project

Mn2Os(CN)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent N3- atoms to form edge-sharing MnN6 octahedra. There are three shorter (2.25 Å) and three longer (2.26 Å) Mn–N bond lengths. Os2- is bonded in an octahedral geometry to six equivalent C+2.67+ atoms. All Os–C bond lengths are 2.01 Å. C+2.67+ is bonded in a linear geometry to one Os2- and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one C+2.67+ atom.

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