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DOE OSTI2020

Materials Data on Eu2Si3Au by Materials Project

Eu2AuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded to three equivalent Au1- and nine Si+1.33- atoms to form a mixture of face and edge-sharing EuSi9Au3 cuboctahedra. All Eu–Au bond lengths are 3.28 Å. There are three shorter (3.28 Å) and six longer (3.31 Å) Eu–Si bond lengths. Au1- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Au–Si bond lengths are 2.44 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.44 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted trigonal planar geometry to six equivalent Eu+2.50+ and three equivalent Au1- atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Eu+2.50+ and three equivalent Si+1.33- atoms.

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Materials Data on EuWO5 by Materials Project

EuWO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.54 Å. W is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of W–O bond distances ranging from 1.80–2.14 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Eu and one W atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Eu and one W atom. In the fourth O site, O is bonded in a linear geometry to one Eu and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Eu and one W atom.

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Materials Data on EuCoGe3 by Materials Project

EuCoGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Co and twelve Ge atoms. There are one shorter (3.40 Å) and four longer (3.45 Å) Eu–Co bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.15–3.31 Å. Co is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.30 Å) and four longer (2.36 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Co, and four equivalent Ge atoms.

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Materials Data on EuAl2 by Materials Project

EuAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Eu and twelve equivalent Al atoms. All Eu–Eu bond lengths are 3.54 Å. All Eu–Al bond lengths are 3.39 Å. Al is bonded to six equivalent Eu and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlEu6Al6 cuboctahedra. All Al–Al bond lengths are 2.89 Å.

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Materials Data on Eu2(Ga3Ir)3 by Materials Project

Eu2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.09–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are two shorter (2.63 Å) and six longer (2.64 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.61–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.89 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Eu, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.97 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on EuCu9Sn4 by Materials Project

EuCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.60 Å) and eight longer (3.65 Å) Eu–Cu bond lengths. All Eu–Sn bond lengths are 3.52 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Eu, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.54–2.76 Å. There are a spread of Cu–Sn bond distances ranging from 2.60–2.70 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Eu, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.56–2.99 Å. There are two shorter (2.75 Å) and two longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a cuboctahedral geometry to eight Cu and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.77 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Eu and nine Cu atoms.

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Materials Data on Eu3As4 by Materials Project

Eu3As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight As+1.50- atoms to form corner-sharing EuAs8 hexagonal bipyramids. There are a spread of Eu–As bond distances ranging from 3.09–3.22 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.07–3.18 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.06–3.20 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.08–3.23 Å. In the fifth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.06–3.19 Å. In the sixth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Eu–As bond distances ranging from 3.07–3.20 Å. There are eight inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. There are one shorter (2.47 Å) and one longer (2.61 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. The As–As bond length is 2.54 Å. In the third As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. There are one shorter (2.45 Å) and one longer (2.59 Å) As–As bond lengths. In the fourth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. In the fifth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom. The As–As bond length is 2.54 Å. In the sixth As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. In the seventh As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. In the eighth As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.50- atom.

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Materials Data on Eu2Ga3Ir by Materials Project

Eu2IrGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to three equivalent Ir and nine Ga atoms. There are two shorter (3.31 Å) and one longer (3.32 Å) Eu–Ir bond lengths. There are three shorter (3.13 Å) and six longer (3.34 Å) Eu–Ga bond lengths. Ir is bonded to six equivalent Eu and six Ga atoms to form IrEu6Ga6 cuboctahedra that share corners with twelve GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent IrEu6Ga6 cuboctahedra, faces with two equivalent IrEu6Ga6 cuboctahedra, and faces with eighteen GaEu6Ga4Ir2 cuboctahedra. There are four shorter (2.69 Å) and two longer (2.70 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Eu, two equivalent Ir, and four equivalent Ga atoms to form distorted GaEu6Ga4Ir2 cuboctahedra that share corners with four equivalent IrEu6Ga6 cuboctahedra, corners with fourteen GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent GaEu6Ga4Ir2 cuboctahedra, faces with six equivalent IrEu6Ga6 cuboctahedra, and faces with twelve equivalent GaEu6Ga4Ir2 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.96 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to six equivalent Eu, two equivalent Ir, and four Ga atoms to form distorted GaEu6Ga4Ir2 cuboctahedra that share corners with four equivalent IrEu6Ga6 cuboctahedra, corners with fourteen GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent GaEu6Ga4Ir2 cuboctahedra, faces with six equivalent IrEu6Ga6 cuboctahedra, and faces with twelve GaEu6Ga4Ir2 cuboctahedra. There are one shorter (2.71 Å) and one longer (2.98 Å) Ga–Ga bond lengths.

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Materials Data on EuGe2Ir by Materials Project

EuIrGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Eu–Ir bond lengths are 3.36 Å. There are a spread of Eu–Ge bond distances ranging from 3.28–3.42 Å. Ir is bonded in a 9-coordinate geometry to four equivalent Eu and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.43–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Eu, one Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Ir atoms.

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Materials Data on EuIn4 by Materials Project

EuIn4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu is bonded in a 1-coordinate geometry to fifteen In atoms. There are a spread of Eu–In bond distances ranging from 3.51–3.98 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to three equivalent Eu and five In atoms. There are a spread of In–In bond distances ranging from 2.95–3.24 Å. In the second In site, In is bonded in a 8-coordinate geometry to four equivalent Eu and four In atoms. There are a spread of In–In bond distances ranging from 2.95–3.11 Å. In the third In site, In is bonded in a 10-coordinate geometry to five equivalent Eu and five In atoms. The In–In bond length is 2.85 Å. In the fourth In site, In is bonded in a distorted body-centered cubic geometry to three equivalent Eu and five In atoms. The In–In bond length is 3.45 Å.

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Materials Data on Eu2(Ga3Rh)3 by Materials Project

Eu2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.11–3.18 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.62–2.65 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.64–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Eu, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–3.00 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Rh, and six Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Eu, three Rh, and five Ga atoms. There are one shorter (2.76 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.

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Materials Data on Eu5Si(Cl3O2)2 by Materials Project

Eu5Si(O2Cl3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to two O2- and seven Cl1- atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Eu–O bond lengths. There are a spread of Eu–Cl bond distances ranging from 2.94–3.36 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both Eu–O bond lengths are 2.50 Å. There are a spread of Eu–Cl bond distances ranging from 2.87–3.23 Å. In the third Eu2+ site, Eu2+ is bonded in a 2-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.44–2.72 Å. There are a spread of Eu–Cl bond distances ranging from 2.94–3.29 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the second O2- site, O2- is bonded to three Eu2+ and one Si4+ atom to form distorted OEu3Si trigonal pyramids that share edges with two equivalent ClEu6 octahedra and an edgeedge with one OEu3Si trigonal pyramid. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Eu2+ atoms to form distorted ClEu6 octahedra that share corners with two equivalent ClEu6 octahedra and edges with four equivalent OEu3Si trigonal pyramids. The corner-sharing octahedral tilt angles are 25°. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Eu2+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Eu2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Eu2+ atoms.

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Materials Data on EuZn13 by Materials Project

EuZn13 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twenty-four Zn atoms. All Eu–Zn bond lengths are 3.54 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–2.98 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.98 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. The Zn–Zn bond length is 2.63 Å. In the fifth Zn site, Zn is bonded in a cuboctahedral geometry to twelve Zn atoms.

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Materials Data on LiEu3SiCl3O4 by Materials Project

LiEu3SiO4Cl3 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.56 Å) and four longer (2.71 Å) Li–Cl bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (1.92 Å) and two longer (2.26 Å) Li–O bond lengths. There are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 2-coordinate geometry to four O2- and four Cl1- atoms. There are two shorter (2.41 Å) and two longer (2.93 Å) Eu–O bond lengths. There are two shorter (2.96 Å) and two longer (3.05 Å) Eu–Cl bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.47–2.61 Å. There are two shorter (3.16 Å) and two longer (3.22 Å) Eu–Cl bond lengths. In the third Eu2+ site, Eu2+ is bonded in a 2-coordinate geometry to four O2- and four Cl1- atoms. There are two shorter (2.43 Å) and two longer (2.75 Å) Eu–O bond lengths. There are two shorter (2.96 Å) and two longer (3.21 Å) Eu–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, three Eu2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three Eu2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Li1+ and four Eu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Li1+ and four Eu2+ atoms.

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Materials Data on Eu3Tl by Materials Project

Eu3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to eight equivalent Eu and four equivalent Tl atoms to form distorted EuEu8Tl4 cuboctahedra that share corners with four equivalent TlEu12 cuboctahedra, corners with fourteen equivalent EuEu8Tl4 cuboctahedra, edges with six equivalent TlEu12 cuboctahedra, edges with twelve equivalent EuEu8Tl4 cuboctahedra, faces with four equivalent TlEu12 cuboctahedra, and faces with sixteen equivalent EuEu8Tl4 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.51–3.90 Å. There are two shorter (3.52 Å) and two longer (3.70 Å) Eu–Tl bond lengths. Tl is bonded to twelve equivalent Eu atoms to form TlEu12 cuboctahedra that share corners with six equivalent TlEu12 cuboctahedra, corners with twelve equivalent EuEu8Tl4 cuboctahedra, edges with eighteen equivalent EuEu8Tl4 cuboctahedra, faces with eight equivalent TlEu12 cuboctahedra, and faces with twelve equivalent EuEu8Tl4 cuboctahedra.

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Materials Data on EuNiGe3 by Materials Project

EuNiGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Ni and twelve Ge atoms. There are four shorter (3.44 Å) and one longer (3.45 Å) Eu–Ni bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.19–3.33 Å. Ni is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.35 Å) and four longer (2.39 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Ni, and four equivalent Ge atoms.

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Materials Data on EuSi2Ni by Materials Project

EuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Eu–Ni bond lengths are 3.14 Å. There are a spread of Eu–Si bond distances ranging from 3.09–3.22 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Eu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.30–2.37 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.44 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Ni atoms.

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Materials Data on EuClO2 by Materials Project

EuO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Eu is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.45 Å. All Eu–Cl bond lengths are 3.00 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Eu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Eu atoms. Cl is bonded in a trigonal non-coplanar geometry to three equivalent Eu atoms.

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