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Materials Data on Tl2OsCBr2OF3 by Materials Project

Os2Tl4COBr4F6CO crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four formaldehyde molecules and one Os2Tl4COBr4F6 sheet oriented in the (-1, 0, 2) direction. In the Os2Tl4COBr4F6 sheet, there are two inequivalent Os1+ sites. In the first Os1+ site, Os1+ is bonded in a 5-coordinate geometry to two Br1- and three F1- atoms. There are one shorter (2.48 Å) and one longer (2.49 Å) Os–Br bond lengths. There are two shorter (2.02 Å) and one longer (2.12 Å) Os–F bond lengths. In the second Os1+ site, Os1+ is bonded in a 5-coordinate geometry to two Br1- and three F1- atoms. Both Os–Br bond lengths are 2.48 Å. There are a spread of Os–F bond distances ranging from 2.02–2.10 Å. There are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–2.97 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Tl–F bond distances ranging from 2.76–3.10 Å. In the third Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two F1- atoms. Both Tl–F bond lengths are 2.91 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to one O2- and four F1- atoms. The Tl–O bond length is 3.19 Å. There are a spread of Tl–F bond distances ranging from 2.67–2.98 Å. C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.18 Å. O2- is bonded in a distorted single-bond geometry to one Tl1+ and one C4+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Os1+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Os1+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to one Os1+ atom. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to one Os1+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Os1+ and three Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Os1+ and three Tl1+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Os1+ and three Tl1+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Os1+ and three Tl1+ atoms. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to one Os1+ and two equivalent Tl1+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Os1+ and two Tl1+ atoms.

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Materials Data on OsO2F3 by Materials Project

OsO2F3 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two OsO2F3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Os7+ sites. In the first Os7+ site, Os7+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Os–O bond length is 1.68 Å. There is three shorter (1.89 Å) and two longer (2.04 Å) Os–F bond length. In the second Os7+ site, Os7+ is bonded in a 6-coordinate geometry to three O2- and three F1- atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.90–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Os7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os7+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom.

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Materials Data on Sb4OsC6(O3F11)2 by Materials Project

Os(CO)6(Sb2F11)2 is T-50 Boron-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Os(CO)6 clusters and four Sb2F11 clusters. In each Os(CO)6 cluster, Os2- is bonded in an octahedral geometry to six C4+ atoms. All Os–C bond lengths are 2.02 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In each Sb2F11 cluster, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. In the second Sb3+ site, Sb3+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

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Materials Data on OsOF4 by Materials Project

OsOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two OsOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded to one O2- and five F1- atoms to form corner-sharing OsOF5 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.88–2.11 Å. In the second Os6+ site, Os6+ is bonded to one O2- and five F1- atoms to form corner-sharing OsOF5 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.88–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os6+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os6+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom.

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Materials Data on OsO2F3 by Materials Project

OsO2F3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two OsO2F3 clusters. there are two inequivalent Os7+ sites. In the first Os7+ site, Os7+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.89–2.05 Å. In the second Os7+ site, Os7+ is bonded in a 6-coordinate geometry to three O2- and three F1- atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.90–2.24 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two Os7+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Os7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom.

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Materials Data on Ba4Os6ClO18 by Materials Project

Ba4Os6O18Cl crystallizes in the cubic I23 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to nine O2- and one Cl1- atom. There are a spread of Ba–O bond distances ranging from 2.69–2.92 Å. The Ba–Cl bond length is 3.04 Å. Os+4.83+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with four equivalent OsO6 octahedra, corners with two equivalent ClBa4O6 tetrahedra, and an edgeedge with one OsO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Os–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Os+4.83+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, two equivalent Os+4.83+, and one Cl1- atom. The O–Cl bond length is 3.22 Å. Cl1- is bonded to four equivalent Ba2+ and six equivalent O2- atoms to form distorted ClBa4O6 tetrahedra that share corners with twelve equivalent OsO6 octahedra. The corner-sharing octahedral tilt angles are 40°.

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Materials Data on Ga3Os by Materials Project

OsGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Os is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Os–Ga bond distances ranging from 2.46–2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Os atoms. In the second Ga site, Ga is bonded in a linear geometry to two equivalent Os atoms.

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Materials Data on LaBeOs2 by Materials Project

BeLaOs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os2- atoms to form BeOs4 tetrahedra that share corners with four equivalent OsLa4Os4 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, edges with six equivalent OsLa4Os4 tetrahedra, and faces with four equivalent LaOs10 tetrahedra. All Be–Os bond lengths are 2.82 Å. La2+ is bonded to ten Os2- atoms to form distorted LaOs10 tetrahedra that share corners with six equivalent LaOs10 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with sixteen OsLa4Os4 tetrahedra, edges with six equivalent OsLa6Be4Os4 tetrahedra, faces with four equivalent BeOs4 tetrahedra, faces with four equivalent OsLa4Os4 tetrahedra, and faces with twelve equivalent LaOs10 tetrahedra. There are four shorter (2.82 Å) and six longer (3.25 Å) La–Os bond lengths. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to four equivalent La2+ and four equivalent Os2- atoms to form distorted OsLa4Os4 tetrahedra that share corners with four equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, corners with twelve equivalent OsLa6Be4Os4 tetrahedra, edges with six equivalent BeOs4 tetrahedra, edges with twelve equivalent OsLa4Os4 tetrahedra, faces with four equivalent LaOs10 tetrahedra, and faces with four equivalent OsLa6Be4Os4 tetrahedra. All Os–Os bond lengths are 2.82 Å. In the second Os2- site, Os2- is bonded to four equivalent Be2+, six equivalent La2+, and four equivalent Os2- atoms to form distorted OsLa6Be4Os4 tetrahedra that share corners with four equivalent LaOs10 tetrahedra, corners with eighteen OsLa4Os4 tetrahedra, edges with six equivalent LaOs10 tetrahedra, and faces with sixteen OsLa4Os4 tetrahedra.

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Materials Data on Sb2OsC6(OF2)6 by Materials Project

Os(CO)6(SbF6)2 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of two Os(CO)6 clusters and four SbF6 clusters. In each Os(CO)6 cluster, Os2- is bonded in an octahedral geometry to six C4+ atoms. There are two shorter (2.01 Å) and four longer (2.02 Å) Os–C bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In each SbF6 cluster, Sb1+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom.

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Materials Data on YbB4Os by Materials Project

YbOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb2+ is bonded in a 2-coordinate geometry to four equivalent Os2- and fourteen B atoms. There are a spread of Yb–Os bond distances ranging from 3.02–3.10 Å. There are a spread of Yb–B bond distances ranging from 2.62–2.76 Å. Os2- is bonded in a 10-coordinate geometry to four equivalent Yb2+, one Os2-, and ten B atoms. The Os–Os bond length is 2.60 Å. There are a spread of Os–B bond distances ranging from 2.27–2.37 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There are a spread of B–B bond distances ranging from 1.75–1.85 Å. In the second B site, B is bonded in a 5-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. The B–B bond length is 1.84 Å. In the third B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There is one shorter (1.74 Å) and one longer (1.77 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to two equivalent Yb2+, four equivalent Os2-, and three B atoms. The B–B bond length is 1.74 Å.

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Materials Data on Zn3Os by Materials Project

OsZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with four equivalent OsZn12 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with eight equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and eight longer (2.78 Å) Os–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Os and eight Zn atoms to form distorted ZnZn8Os4 cuboctahedra that share corners with twelve equivalent ZnZn8Os4 cuboctahedra, edges with eight equivalent OsZn12 cuboctahedra, edges with eight equivalent ZnZn8Os4 cuboctahedra, faces with four equivalent OsZn12 cuboctahedra, and faces with ten equivalent ZnZn8Os4 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.78 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a square co-planar geometry to four equivalent Os and eight equivalent Zn atoms.

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Materials Data on ZrAsOs by Materials Project

ZrOsAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr4+ is bonded in a 11-coordinate geometry to six equivalent Os1- and five As3- atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Zr–Os bond lengths. There are one shorter (2.76 Å) and four longer (2.82 Å) Zr–As bond lengths. Os1- is bonded to six equivalent Zr4+, two equivalent Os1-, and four As3- atoms to form a mixture of distorted edge, face, and corner-sharing OsZr6As4Os2 cuboctahedra. Both Os–Os bond lengths are 2.80 Å. There are two shorter (2.55 Å) and two longer (2.58 Å) Os–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to six equivalent Zr4+ and three equivalent Os1- atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Zr4+ and six equivalent Os1- atoms.

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Materials Data on U(Zn10Os)2 by Materials Project

UOs2Zn20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.10 Å) and twelve longer (3.13 Å) U–Zn bond lengths. Os is bonded to twelve Zn atoms to form OsZn12 cuboctahedra that share corners with six equivalent OsZn12 cuboctahedra, edges with eighteen equivalent ZnUZn10Os cuboctahedra, and faces with six equivalent ZnUZn10Os cuboctahedra. There are six shorter (2.54 Å) and six longer (2.81 Å) Os–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent U and twelve equivalent Zn atoms. All Zn–Zn bond lengths are 3.04 Å. In the second Zn site, Zn is bonded in a distorted linear geometry to two equivalent Os and six equivalent Zn atoms. There are two shorter (2.69 Å) and four longer (2.83 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to one U, one Os, and ten Zn atoms to form distorted ZnUZn10Os cuboctahedra that share corners with fifteen equivalent ZnUZn10Os cuboctahedra, edges with two equivalent ZnUZn10Os cuboctahedra, edges with three equivalent OsZn12 cuboctahedra, a faceface with one OsZn12 cuboctahedra, and faces with fifteen equivalent ZnUZn10Os cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.92 Å.

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Materials Data on TiPOs by Materials Project

TiOsP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti4+ is bonded in a 11-coordinate geometry to six equivalent Os1- and five P3- atoms. There are two shorter (2.79 Å) and four longer (2.93 Å) Ti–Os bond lengths. There are one shorter (2.60 Å) and four longer (2.65 Å) Ti–P bond lengths. Os1- is bonded in a 12-coordinate geometry to six equivalent Ti4+, two equivalent Os1-, and four P3- atoms. Both Os–Os bond lengths are 2.74 Å. There are two shorter (2.38 Å) and two longer (2.44 Å) Os–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Ti4+ and three equivalent Os1- atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Ti4+ and six equivalent Os1- atoms.

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Materials Data on B3Os2 by Materials Project

Os2B3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os+1.50- is bonded in a 7-coordinate geometry to seven B1+ atoms. There are four shorter (2.21 Å) and three longer (2.22 Å) Os–B bond lengths. There are two inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Os+1.50- atoms. In the second B1+ site, B1+ is bonded to six equivalent Os+1.50- atoms to form distorted edge-sharing BOs6 pentagonal pyramids.

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Materials Data on H12OsSN4O7 by Materials Project

(OsH12(N2O)2)2(SO4)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfuric acid molecules, four water molecules, and four OsH12(N2O)2 clusters. In two of the OsH12(N2O)2 clusters, Os8+ is bonded in an octahedral geometry to four N1- and two equivalent O2- atoms. All Os–N bond lengths are 2.14 Å. Both Os–O bond lengths are 1.75 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is one shorter (1.03 Å) and two longer (1.04 Å) N–H bond length. In the second N1- site, N1- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a single-bond geometry to one Os8+ atom. In two of the OsH12(N2O)2 clusters, Os8+ is bonded in an octahedral geometry to four N1- and two equivalent O2- atoms. All Os–N bond lengths are 2.14 Å. Both Os–O bond lengths are 1.75 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the second N1- site, N1- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a single-bond geometry to one Os8+ atom.

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Materials Data on KOsNO3 by Materials Project

KOsNO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.96 Å) and one longer (3.02 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.89–2.98 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.94 Å) and one longer (3.03 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.90–2.97 Å. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. In the second Os8+ site, Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.71 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrPOs by Materials Project

ZrOsP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr4+ is bonded in a 11-coordinate geometry to six equivalent Os1- and five P3- atoms. There are two shorter (2.92 Å) and four longer (3.04 Å) Zr–Os bond lengths. There are one shorter (2.69 Å) and four longer (2.75 Å) Zr–P bond lengths. Os1- is bonded to six equivalent Zr4+, two equivalent Os1-, and four P3- atoms to form a mixture of distorted corner, edge, and face-sharing OsZr6P4Os2 cuboctahedra. Both Os–Os bond lengths are 2.76 Å. There are two shorter (2.48 Å) and two longer (2.51 Å) Os–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Zr4+ and three equivalent Os1- atoms. In the second P3- site, P3- is bonded in a 3-coordinate geometry to three equivalent Zr4+ and six equivalent Os1- atoms.

36 MATERIALS SCIENCE↗