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At least 1,315 records · Page 73
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DOE OSTI2020

Materials Data on Sm2Ge5Ir3 by Materials Project

Sm2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Sm–Ir bond distances ranging from 3.16–3.56 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.37 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Sm and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.41–2.54 Å. In the second Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.67 Å) Ir–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Ir, and two equivalent Ge atoms.

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Materials Data on Sc2CoB2Ir5 by Materials Project

Sc2Ir5CoB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.79–2.95 Å. There are one shorter (2.63 Å) and two longer (2.87 Å) Sc–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Co, and two equivalent B atoms. Both Ir–Co bond lengths are 2.61 Å. Both Ir–B bond lengths are 2.19 Å. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.26 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

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Materials Data on Sc2GeB2Ir5 by Materials Project

Sc2Ir5B2Ge crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.79–2.97 Å. There are one shorter (2.63 Å) and two longer (2.82 Å) Sc–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent B, and two equivalent Ge atoms. Both Ir–B bond lengths are 2.23 Å. Both Ir–Ge bond lengths are 2.64 Å. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.28 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

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Materials Data on Tb2Ge5Ir3 by Materials Project

Tb2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Tb–Ir bond distances ranging from 3.13–3.54 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Tb and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.66 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Tb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.68 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, three Ir, and two equivalent Ge atoms.

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Materials Data on Sc2TiB2Ir5 by Materials Project

Sc2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.81–2.98 Å. There are one shorter (2.69 Å) and two longer (2.83 Å) Sc–B bond lengths. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.66 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Ti, and two equivalent B atoms. Both Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.26 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

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Materials Data on Sc2MnB2Ir5 by Materials Project

Sc2MnIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.80–2.96 Å. There are one shorter (2.65 Å) and two longer (2.88 Å) Sc–B bond lengths. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.64 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Mn, and two equivalent B atoms. Both Ir–B bond lengths are 2.20 Å. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

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Materials Data on Mg2MnB2Ir5 by Materials Project

Mg2MnIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.78–2.96 Å. The Mg–B bond length is 2.66 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.60 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Mn, and two equivalent B atoms. Both Ir–B bond lengths are 2.17 Å. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.

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Materials Data on SnIr3 by Materials Project

Ir3Sn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Ir and four equivalent Sn atoms to form distorted IrSn4Ir8 cuboctahedra that share corners with four equivalent SnIr12 cuboctahedra, corners with fourteen IrSn4Ir8 cuboctahedra, edges with six equivalent SnIr12 cuboctahedra, edges with twelve IrSn4Ir8 cuboctahedra, faces with four equivalent SnIr12 cuboctahedra, and faces with sixteen IrSn4Ir8 cuboctahedra. There are six shorter (2.78 Å) and two longer (2.91 Å) Ir–Ir bond lengths. There are two shorter (2.82 Å) and two longer (2.84 Å) Ir–Sn bond lengths. In the second Ir site, Ir is bonded to eight equivalent Ir and four equivalent Sn atoms to form distorted IrSn4Ir8 cuboctahedra that share corners with four equivalent SnIr12 cuboctahedra, corners with fourteen IrSn4Ir8 cuboctahedra, edges with six equivalent SnIr12 cuboctahedra, edges with twelve equivalent IrSn4Ir8 cuboctahedra, faces with four equivalent SnIr12 cuboctahedra, and faces with sixteen IrSn4Ir8 cuboctahedra. There are two shorter (2.82 Å) and two longer (2.84 Å) Ir–Sn bond lengths. Sn is bonded to twelve Ir atoms to form SnIr12 cuboctahedra that share corners with six equivalent SnIr12 cuboctahedra, corners with twelve equivalent IrSn4Ir8 cuboctahedra, edges with eighteen IrSn4Ir8 cuboctahedra, faces with eight equivalent SnIr12 cuboctahedra, and faces with twelve IrSn4Ir8 cuboctahedra.

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Materials Data on Mg2TiB2Ir5 by Materials Project

Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Mg–Ir bond distances ranging from 2.80–2.98 Å. There are one shorter (2.70 Å) and two longer (2.90 Å) Mg–B bond lengths. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.62 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Ti, and two equivalent B atoms. Both Ir–B bond lengths are 2.19 Å. B is bonded in a 7-coordinate geometry to three equivalent Mg and six Ir atoms.

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Materials Data on Ir3Se by Materials Project

Ir3Se is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Ir and four equivalent Se atoms to form distorted IrIr8Se4 cuboctahedra that share corners with twelve equivalent IrIr8Se4 cuboctahedra, edges with eight equivalent SeIr12 cuboctahedra, edges with sixteen IrIr8Se4 cuboctahedra, faces with four equivalent SeIr12 cuboctahedra, and faces with fourteen IrIr8Se4 cuboctahedra. There are four shorter (2.76 Å) and four longer (2.85 Å) Ir–Ir bond lengths. All Ir–Se bond lengths are 2.76 Å. In the second Ir site, Ir is bonded to eight equivalent Ir and four equivalent Se atoms to form IrIr8Se4 cuboctahedra that share corners with four equivalent IrIr8Se4 cuboctahedra, corners with eight equivalent SeIr12 cuboctahedra, edges with twenty-four IrIr8Se4 cuboctahedra, faces with six equivalent SeIr12 cuboctahedra, and faces with twelve IrIr8Se4 cuboctahedra. All Ir–Se bond lengths are 2.85 Å. Se is bonded to twelve Ir atoms to form SeIr12 cuboctahedra that share corners with four equivalent SeIr12 cuboctahedra, corners with eight equivalent IrIr8Se4 cuboctahedra, edges with eight equivalent SeIr12 cuboctahedra, edges with sixteen equivalent IrIr8Se4 cuboctahedra, faces with four equivalent SeIr12 cuboctahedra, and faces with fourteen IrIr8Se4 cuboctahedra.

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Materials Data on Sc2CuB2Ir5 by Materials Project

Sc2Ir5CuB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.78–2.95 Å. There are one shorter (2.62 Å) and two longer (2.87 Å) Sc–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Cu, and two equivalent B atoms. Both Ir–Cu bond lengths are 2.61 Å. Both Ir–B bond lengths are 2.19 Å. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.27 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

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Materials Data on Ba2Ge5Ir4 by Materials Project

Ba2Ir4Ge5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to two equivalent Ba, eight Ir, and ten Ge atoms. Both Ba–Ba bond lengths are 3.61 Å. There are a spread of Ba–Ir bond distances ranging from 3.51–3.99 Å. There are a spread of Ba–Ge bond distances ranging from 3.40–3.74 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to four equivalent Ba and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.43–2.63 Å. In the second Ir site, Ir is bonded in a 5-coordinate geometry to four equivalent Ba and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Ba and four Ir atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Ba and four Ir atoms.

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Materials Data on Dy2Ge5Ir3 by Materials Project

Dy2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Dy–Ir bond distances ranging from 3.13–3.56 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Dy and six Ge atoms. There are four shorter (2.53 Å) and two longer (2.64 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms.

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DOE OSTI2020

Materials Data on Sc2NiB2Ir5 by Materials Project

Sc2Ir5NiB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.79–2.95 Å. There are one shorter (2.62 Å) and two longer (2.86 Å) Sc–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Ni, and two equivalent B atoms. Both Ir–Ni bond lengths are 2.61 Å. Both Ir–B bond lengths are 2.21 Å. In the second Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.26 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

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DOE OSTI2020

Materials Data on Mg2FeB2Ir5 by Materials Project

Mg2FeIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.77–2.94 Å. The Mg–B bond length is 2.65 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Fe–Ir bond lengths are 2.58 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Fe, and two equivalent B atoms. Both Ir–B bond lengths are 2.17 Å. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.

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Materials Data on Nd2Ge5Ir3 by Materials Project

Nd2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Nd–Ir bond distances ranging from 3.18–3.59 Å. There are a spread of Nd–Ge bond distances ranging from 3.03–3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Nd and six Ge atoms. There are four shorter (2.55 Å) and two longer (2.68 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.42–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, three Ir, and two equivalent Ge atoms.

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Materials Data on Ir3Pb by Materials Project

Ir3Pb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight Ir and four equivalent Pb atoms to form IrIr8Pb4 cuboctahedra that share corners with twelve equivalent IrIr8Pb4 cuboctahedra, edges with eight equivalent PbIr12 cuboctahedra, edges with sixteen IrIr8Pb4 cuboctahedra, faces with four equivalent PbIr12 cuboctahedra, and faces with fourteen IrIr8Pb4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ir–Ir bond lengths. All Ir–Pb bond lengths are 2.84 Å. In the second Ir site, Ir is bonded to eight equivalent Ir and four equivalent Pb atoms to form IrIr8Pb4 cuboctahedra that share corners with four equivalent IrIr8Pb4 cuboctahedra, corners with eight equivalent PbIr12 cuboctahedra, edges with twenty-four IrIr8Pb4 cuboctahedra, faces with six equivalent PbIr12 cuboctahedra, and faces with twelve IrIr8Pb4 cuboctahedra. All Ir–Pb bond lengths are 2.91 Å. Pb is bonded to twelve Ir atoms to form PbIr12 cuboctahedra that share corners with four equivalent PbIr12 cuboctahedra, corners with eight equivalent IrIr8Pb4 cuboctahedra, edges with eight equivalent PbIr12 cuboctahedra, edges with sixteen equivalent IrIr8Pb4 cuboctahedra, faces with four equivalent PbIr12 cuboctahedra, and faces with fourteen IrIr8Pb4 cuboctahedra.

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DOE OSTI2020

Materials Data on Mg2CoB2Ir5 by Materials Project

Mg2Ir5CoB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and one B atom. There are a spread of Mg–Ir bond distances ranging from 2.77–2.93 Å. The Mg–B bond length is 2.63 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Co, and two equivalent B atoms. Both Ir–Co bond lengths are 2.58 Å. Both Ir–B bond lengths are 2.15 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. B is bonded in a 7-coordinate geometry to one Mg and six Ir atoms.

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