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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on K3Re by Materials Project

K3Re is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four equivalent K and four equivalent Re atoms. All K–K bond lengths are 3.87 Å. All K–Re bond lengths are 3.87 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Re atoms to form distorted KK8Re4 cuboctahedra that share corners with four equivalent KK8Re4 cuboctahedra, corners with eight equivalent ReK12 cuboctahedra, edges with eight equivalent KK8Re4 cuboctahedra, faces with four equivalent KK8Re4 cuboctahedra, and faces with six equivalent ReK12 cuboctahedra. All K–Re bond lengths are 4.04 Å. Re is bonded to twelve K atoms to form ReK12 cuboctahedra that share corners with four equivalent ReK12 cuboctahedra, corners with eight equivalent KK8Re4 cuboctahedra, edges with eight equivalent ReK12 cuboctahedra, faces with four equivalent ReK12 cuboctahedra, and faces with six equivalent KK8Re4 cuboctahedra.

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Materials Data on Mn(ReO5)2 by Materials Project

Mn(ReO5)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Mn(ReO5)2 ribbons oriented in the (0, 1, 0) direction. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent ReO4 tetrahedra. There are two shorter (1.95 Å) and four longer (2.06 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re+6.50+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom.

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Materials Data on NbCrRe2 by Materials Project

NbCrRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbCrRe2 ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.26 Å. Cr is bonded in a linear geometry to two equivalent Re atoms. Both Cr–Re bond lengths are 2.57 Å. Re is bonded in a linear geometry to one Nb and one Cr atom.

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DOE OSTI2020

Materials Data on YRe2SiC by Materials Project

YRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.13 Å) Y–Si bond lengths. All Y–C bond lengths are 2.74 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.49 Å) and two longer (2.50 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Re atoms. C is bonded to four equivalent Y and two equivalent Re atoms to form a mixture of corner and edge-sharing CY4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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Materials Data on CeRe2SiC by Materials Project

CeRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.07 Å) and two longer (3.14 Å) Ce–Si bond lengths. All Ce–C bond lengths are 2.75 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.50 Å) and two longer (2.52 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Re atoms. C is bonded to four equivalent Ce and two equivalent Re atoms to form a mixture of edge and corner-sharing CCe4Re2 octahedra. The corner-sharing octahedral tilt angles are 21°.

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Materials Data on Ta2TiRe by Materials Project

TiTa2Re is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ti–Ta bond lengths are 2.79 Å. All Ti–Re bond lengths are 3.23 Å. Ta is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Re atoms. All Ta–Re bond lengths are 2.79 Å. Re is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Ta atoms.

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Materials Data on Re4As5S4 by Materials Project

Re4As5S4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re+3.75+ is bonded in a 6-coordinate geometry to three equivalent As+1.40- and three equivalent S2- atoms. All Re–As bond lengths are 2.65 Å. All Re–S bond lengths are 2.35 Å. There are two inequivalent As+1.40- sites. In the first As+1.40- site, As+1.40- is bonded in a tetrahedral geometry to four equivalent As+1.40- atoms. All As–As bond lengths are 2.51 Å. In the second As+1.40- site, As+1.40- is bonded to three equivalent Re+3.75+ and one As+1.40- atom to form a mixture of distorted edge and corner-sharing AsRe3As tetrahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Re+3.75+ atoms.

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Materials Data on Lu5(ReO6)2 by Materials Project

Lu5(ReO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven O2- atoms to form distorted LuO7 pentagonal bipyramids that share corners with two equivalent LuO6 octahedra, an edgeedge with one LuO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent LuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are a spread of Lu–O bond distances ranging from 2.23–2.38 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.45 Å. In the third Lu3+ site, Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent LuO7 pentagonal bipyramids, and edges with two equivalent LuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.14 Å) and four longer (2.28 Å) Lu–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent LuO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with two equivalent LuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four shorter (1.97 Å) and two longer (2.09 Å) Re–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded to three Lu3+ and one Re+4.50+ atom to form distorted OLu3Re tetrahedra that share corners with ten OLu3Re tetrahedra, a cornercorner with one OLu2Re2 trigonal pyramid, edges with three OLu3Re tetrahedra, and edges with two equivalent OLu2Re2 trigonal pyramids. In the third O2- site, O2- is bonded to two Lu3+ and two equivalent Re+4.50+ atoms to form distorted OLu2Re2 trigonal pyramids that share corners with eight OLu3Re tetrahedra, edges with four equivalent OLu3Re tetrahedra, and an edgeedge with one OLu2Re2 trigonal pyramid. In the fourth O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share corners with ten OLu3Re tetrahedra, corners with three equivalent OLu2Re2 trigonal pyramids, and edges with four OLu3Re tetrahedra.

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Materials Data on TiCrRe2 by Materials Project

TiCrRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiCrRe2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Re atoms. Both Ti–Re bond lengths are 2.21 Å. Cr is bonded in a linear geometry to two equivalent Re atoms. Both Cr–Re bond lengths are 2.63 Å. Re is bonded in a linear geometry to one Ti and one Cr atom.

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Materials Data on NbRe2W by Materials Project

NbWRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbWRe2 ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.37 Å. W is bonded in a linear geometry to two equivalent Re atoms. Both W–Re bond lengths are 2.35 Å. Re is bonded in a linear geometry to one Nb and one W atom.

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Materials Data on TmRe2SiC by Materials Project

TmRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.11 Å) Tm–Si bond lengths. All Tm–C bond lengths are 2.71 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.47 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.94 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Re atoms. C is bonded to four equivalent Tm and two equivalent Re atoms to form a mixture of edge and corner-sharing CTm4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

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DOE OSTI2020

Materials Data on VRe2Si by Materials Project

VRe2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VRe2Si ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.16 Å. Re is bonded in a linear geometry to one V and one Si atom. The Re–Si bond length is 2.31 Å. Si is bonded in a linear geometry to two equivalent Re atoms.

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Materials Data on CsRe3(Se2Br)2 by Materials Project

CsRe3(Se2Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to five Se2- and five Br1- atoms. There are a spread of Cs–Se bond distances ranging from 3.78–4.30 Å. There are a spread of Cs–Br bond distances ranging from 3.78–4.01 Å. There are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing ReSe5 square pyramids. There are a spread of Re–Se bond distances ranging from 2.54–2.68 Å. In the second Re3+ site, Re3+ is bonded to four Se2- and one Br1- atom to form a mixture of edge and corner-sharing ReSe4Br square pyramids. There are one shorter (2.54 Å) and three longer (2.55 Å) Re–Se bond lengths. The Re–Br bond length is 2.59 Å. In the third Re3+ site, Re3+ is bonded to four Se2- and one Br1- atom to form ReSe4Br square pyramids that share a cornercorner with one ReSe5 square pyramid and edges with four ReSe4Br square pyramids. There are a spread of Re–Se bond distances ranging from 2.54–2.56 Å. The Re–Br bond length is 2.61 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Cs1+ and three Re3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three Re3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Re3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Re3+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one Re3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re3+ atom.

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Materials Data on ReGeAs by Materials Project

ReGeAs is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re is bonded in a 8-coordinate geometry to five equivalent Ge and three equivalent As atoms. There are a spread of Re–Ge bond distances ranging from 2.67–2.76 Å. There are two shorter (2.51 Å) and one longer (2.57 Å) Re–As bond lengths. Ge is bonded in a 7-coordinate geometry to five equivalent Re and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.83 Å. As is bonded in a 4-coordinate geometry to three equivalent Re and one As atom. The As–As bond length is 2.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be13Re by Materials Project

Be13Re crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a cuboctahedral geometry to twelve equivalent Be atoms. All Be–Be bond lengths are 2.29 Å. In the second Be site, Be is bonded in a 9-coordinate geometry to nine Be atoms. There are a spread of Be–Be bond distances ranging from 2.15–2.45 Å. In the third Be site, Be is bonded to four equivalent Re atoms to form corner-sharing BeRe4 tetrahedra. All Be–Re bond lengths are 2.93 Å. In the fourth Be site, Be is bonded in a 6-coordinate geometry to five Be and one Re atom. There are one shorter (2.01 Å) and two longer (2.19 Å) Be–Be bond lengths. The Be–Re bond length is 2.17 Å. Re is bonded to eight Be atoms to form corner-sharing ReBe8 hexagonal bipyramids.

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DOE OSTI2020

Materials Data on LuPaRe2 by Materials Project

PaLuRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Pa–Re bond lengths are 2.96 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Lu–Re bond lengths are 2.96 Å. Re is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2NbRe by Materials Project

Ta2NbRe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Re atoms. All Ta–Nb bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Re atoms. All Nb–Re bond lengths are 3.25 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThRe2SiC by Materials Project

ThRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.11 Å) and two longer (3.17 Å) Th–Si bond lengths. All Th–C bond lengths are 2.77 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.51 Å) and two longer (2.54 Å) Re–Si bond lengths. The Re–C bond length is 1.97 Å. Si is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Re atoms. C is bonded to four equivalent Th and two equivalent Re atoms to form a mixture of corner and edge-sharing CTh4Re2 octahedra. The corner-sharing octahedral tilt angles are 21°.

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