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Materials Data on Eu4As3 by Materials Project

Eu4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Eu+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing EuAs6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°. There are three shorter (3.03 Å) and three longer (3.34 Å) Eu–As bond lengths. As3- is bonded in a 8-coordinate geometry to eight equivalent Eu+2.25+ atoms.

36 MATERIALS SCIENCE↗

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.

36 MATERIALS SCIENCE↗

Materials Data on Eu5As3 by Materials Project

Eu5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing EuAs6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Eu–As bond lengths are 3.24 Å. In the second Eu site, Eu is bonded in a 3-coordinate geometry to five equivalent As atoms. There are a spread of Eu–As bond distances ranging from 3.04–3.64 Å. As is bonded in a 9-coordinate geometry to nine Eu atoms.

36 MATERIALS SCIENCE↗

Materials Data on EuAs by Materials Project

EuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Eu–As bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are four shorter (3.06 Å) and two longer (3.10 Å) Eu–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Eu3+ atoms to form a mixture of distorted edge, corner, and face-sharing AsEu6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.83 Å.

36 MATERIALS SCIENCE↗

Materials Data on EuAs3 by Materials Project

EuAs3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to ten As1- atoms. There are a spread of Eu–As bond distances ranging from 3.07–3.52 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and three As1- atoms. There are two shorter (2.51 Å) and one longer (2.54 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 6-coordinate geometry to four equivalent Eu3+ and two As1- atoms. The As–As bond length is 2.51 Å.

36 MATERIALS SCIENCE↗

Materials Data on Eu3As4 by Materials Project

Eu3As4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first 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 3.12–3.23 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 3.12–3.26 Å. There are two inequivalent As+1.50- sites. In the first 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 2.53 Å. In the second As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.50- atoms. The As–As bond length is 2.63 Å.

36 MATERIALS SCIENCE↗

Materials Data on Eu2As3 by Materials Project

Eu2As3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are five inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.33- atoms. There are a spread of Eu–As bond distances ranging from 3.15–3.31 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight As+1.33- atoms. There are a spread of Eu–As bond distances ranging from 3.13–3.44 Å. In the third Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to nine As+1.33- atoms. There are a spread of Eu–As bond distances ranging from 3.09–3.64 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 10-coordinate geometry to ten As+1.33- atoms. There are a spread of Eu–As bond distances ranging from 3.02–3.52 Å. In the fifth Eu2+ site, Eu2+ is bonded to eight As+1.33- atoms to form a mixture of distorted corner, edge, and face-sharing EuAs8 hexagonal bipyramids. There are a spread of Eu–As bond distances ranging from 3.09–3.45 Å. There are six inequivalent As+1.33- sites. In the first As+1.33- site, As+1.33- is bonded in a 7-coordinate geometry to five Eu2+ and two As+1.33- atoms. There are one shorter (2.53 Å) and one longer (2.72 Å) As–As bond lengths. In the second As+1.33- site, As+1.33- is bonded in a 7-coordinate geometry to five Eu2+ and two As+1.33- atoms. The As–As bond length is 2.58 Å. In the third As+1.33- site, As+1.33- is bonded in a 7-coordinate geometry to six Eu2+ and two As+1.33- atoms. The As–As bond length is 2.58 Å. In the fourth As+1.33- site, As+1.33- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.33- atom. The As–As bond length is 2.58 Å. In the fifth As+1.33- site, As+1.33- is bonded in a 7-coordinate geometry to six Eu2+ and one As+1.33- atom. In the sixth As+1.33- site, As+1.33- is bonded in a 8-coordinate geometry to six Eu2+ and two As+1.33- atoms. The As–As bond length is 2.61 Å.

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Materials Data on EuAs by Materials Project

EuAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. There are four shorter (3.07 Å) and two longer (3.09 Å) Eu–As bond lengths. In the second Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six As3- atoms. All Eu–As bond lengths are 3.11 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.78 Å. In the second As3- site, As3- is bonded in a 7-coordinate geometry to six Eu3+ and one As3- atom. The As–As bond length is 2.63 Å.

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