cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1724737
title: Materials Data on Eu2HCl2 by Materials Project

description: Eu2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Eu2HCl2 cluster. Eu is bonded in a linear geometry to one H and one Cl atom. The Eu–H bond length is 2.35 Å. The Eu–Cl bond length is 2.53 Å. H is bonded in a linear geometry to two equivalent Eu atoms. Cl is bonded in a single-bond geometry to one Eu atom.
DOI: 10.17188/1724738
title: Materials Data on Ga2(CN2)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724739
title: Materials Data on Cu4SnP10 by Materials Project

description: Cu4SnP10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three P+0.60- atoms. There are two shorter (2.35 Å) and one longer (2.59 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to seven P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.45–3.01 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four P+0.60- atoms. There are a spread of Cu–P bond distances ranging from 2.31–2.40 Å. Sn2+ is bonded in a distorted water-like geometry to two equivalent P+0.60- atoms. Both Sn–P bond lengths are 2.81 Å. There are seven inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded in a distorted trigonal pyramidal geometry to four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.34 Å. In the second P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to two Cu1+ and four P+0.60- atoms. There are a spread of P–P bond distances ranging from 2.28–2.48 Å. In the third P+0.60- site, P+0.60- is bonded in a 1-coordinate geometry to one Cu1+, one Sn2+, and two P+0.60- atoms. There are one shorter (2.20 Å) and one longer (2.56 Å) P–P bond lengths. In the fourth P+0.60- site, P+0.60- is bonded in a 6-coordinate geometry to one Cu1+ and five P+0.60- atoms. The P–P bond length is 2.70 Å. In the fifth P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to three Cu1+ and two P+0.60- atoms. The P–P bond length is 2.32 Å. In the sixth P+0.60- site, P+0.60- is bonded in a 2-coordinate geometry to three Cu1+ and three P+0.60- atoms. In the seventh P+0.60- site, P+0.60- is bonded in a 5-coordinate geometry to two Cu1+ and three P+0.60- atoms.
DOI: 10.17188/1724740
title: Materials Data on Nb10(SiB)3 by Materials Project

description: Nb10(BSi)3 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Nb+2.10+ sites. In the first Nb+2.10+ site, Nb+2.10+ is bonded to two B3- and three Si4- atoms to form NbSi3B2 trigonal bipyramids that share corners with four equivalent NbSi3B3 octahedra, corners with twelve NbSi3B2 trigonal bipyramids, edges with seven NbSi3B2 trigonal bipyramids, faces with two equivalent NbSi3B3 octahedra, and a faceface with one NbSi3B2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are one shorter (2.51 Å) and one longer (2.53 Å) Nb–B bond lengths. There are a spread of Nb–Si bond distances ranging from 2.54–2.69 Å. In the second Nb+2.10+ site, Nb+2.10+ is bonded to three B3- and two equivalent Si4- atoms to form NbSi2B3 trigonal bipyramids that share corners with four equivalent NbSi3B3 octahedra, corners with twelve NbSi3B2 trigonal bipyramids, edges with seven NbSi3B2 trigonal bipyramids, faces with two equivalent NbSi3B3 octahedra, and a faceface with one NbSi2B3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–60°. There are two shorter (2.44 Å) and one longer (2.49 Å) Nb–B bond lengths. Both Nb–Si bond lengths are 2.69 Å. In the third Nb+2.10+ site, Nb+2.10+ is bonded to two equivalent B3- and three Si4- atoms to form NbSi3B2 trigonal bipyramids that share corners with four equivalent NbSi3B3 octahedra, corners with twelve NbSi3B2 trigonal bipyramids, edges with seven NbSi3B2 trigonal bipyramids, faces with two equivalent NbSi3B3 octahedra, and a faceface with one NbSi3B2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 44–63°. Both Nb–B bond lengths are 2.44 Å. There are one shorter (2.61 Å) and two longer (2.72 Å) Nb–Si bond lengths. In the fourth Nb+2.10+ site, Nb+2.10+ is bonded to three B3- and three Si4- atoms to form distorted NbSi3B3 octahedra that share corners with six equivalent NbSi3B3 octahedra, corners with sixteen NbSi3B2 trigonal bipyramids, and faces with eight NbSi3B2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 2–56°. There are a spread of Nb–B bond distances ranging from 2.48–2.57 Å. There are one shorter (2.57 Å) and two longer (2.94 Å) Nb–Si bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to eight Nb+2.10+ and one B3- atom. The B–B bond length is 2.06 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to eight Nb+2.10+ and one Si4- atom. The B–Si bond length is 2.19 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Nb+2.10+ and one B3- atom. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Nb+2.10+ atoms.
DOI: 10.17188/1724741
title: Materials Data on ErLuCu2 by Materials Project

description: LuErCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Lu–Cu bond lengths are 2.96 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Er–Cu bond lengths are 2.96 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Er atoms.
DOI: 10.17188/1724742
title: Materials Data on As by Materials Project

description: As is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. As is bonded to twelve equivalent As atoms to form a mixture of edge, corner, and face-sharing AsAs12 cuboctahedra. All As–As bond lengths are 3.02 Å.
DOI: 10.17188/1724743
title: Materials Data on V4Ir by Materials Project

description: V4Ir crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 10-coordinate geometry to two equivalent V and two equivalent Ir atoms. Both V–V bond lengths are 2.52 Å. Both V–Ir bond lengths are 2.60 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight V atoms. There are two shorter (2.54 Å) and four longer (2.67 Å) V–V bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent V atoms.
DOI: 10.17188/1724744
title: Materials Data on Ca7TiN6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724745
title: Materials Data on MgSc2Ru by Materials Project

description: MgSc2Ru crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Sc atoms to form a mixture of face and corner-sharing MgMg4Sc8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Sc bond lengths are 3.26 Å. Sc is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.77 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1724746
title: Materials Data on Li2Co2(SiO3)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724747
title: Materials Data on BaClO by Materials Project

description: BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.
DOI: 10.17188/1724748
title: Materials Data on NdP4NO12 by Materials Project

description: (Nd(PO3)4)2N2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four ammonia molecules and one Nd(PO3)4 framework. In the Nd(PO3)4 framework, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.49 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom.
DOI: 10.17188/1724749
title: Materials Data on Rb2AgAsF6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724750
title: Materials Data on Mg2ZnCd by Materials Project

description: Mg2CdZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Mg2CdZn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to one Cd and one Zn atom. The Mg–Cd bond length is 2.85 Å. The Mg–Zn bond length is 2.73 Å. Cd is bonded in a linear geometry to two equivalent Mg atoms. Zn is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1724751
title: Materials Data on NbAlBr8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724754
title: Materials Data on TaSn3 by Materials Project

description: TaSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Sn atoms to form TaSn12 cuboctahedra that share corners with six equivalent TaSn12 cuboctahedra, corners with twelve equivalent SnTa4Sn8 cuboctahedra, edges with eighteen equivalent SnTa4Sn8 cuboctahedra, faces with eight equivalent TaSn12 cuboctahedra, and faces with twelve equivalent SnTa4Sn8 cuboctahedra. There are six shorter (3.15 Å) and six longer (3.21 Å) Ta–Sn bond lengths. Sn is bonded to four equivalent Ta and eight equivalent Sn atoms to form distorted SnTa4Sn8 cuboctahedra that share corners with four equivalent TaSn12 cuboctahedra, corners with fourteen equivalent SnTa4Sn8 cuboctahedra, edges with six equivalent TaSn12 cuboctahedra, edges with twelve equivalent SnTa4Sn8 cuboctahedra, faces with four equivalent TaSn12 cuboctahedra, and faces with sixteen equivalent SnTa4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.00–3.30 Å.
DOI: 10.17188/1724755
title: Materials Data on Dy5B2(O2F3)3 by Materials Project

description: Dy5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.58 Å. There are a spread of Dy–F bond distances ranging from 2.22–2.42 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to three O2- and five F1- atoms. There are two shorter (2.34 Å) and one longer (2.44 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.24–2.52 Å. In the third Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are two shorter (2.35 Å) and two longer (2.38 Å) Dy–O bond lengths. There are a spread of Dy–F bond distances ranging from 2.30–2.62 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Dy3+ and one B3+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Dy3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Dy3+ atoms.
DOI: 10.17188/1724756
title: Materials Data on Mg2Si by Materials Project

description: Mg2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted T-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.82 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.72–2.94 Å. In the third Mg2+ site, Mg2+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.66–2.69 Å. In the fourth Mg2+ site, Mg2+ is bonded in a distorted T-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.02 Å. In the fifth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.22 Å. In the sixth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.72–2.74 Å. In the seventh Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.02 Å. In the eighth Mg2+ site, Mg2+ is bonded to five Si4- atoms to form distorted MgSi5 trigonal bipyramids that share corners with three equivalent MgSi4 tetrahedra, corners with two equivalent MgSi5 trigonal bipyramids, and an edgeedge with one MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.73–3.00 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. There are one shorter (2.45 Å) and one longer (2.56 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.
DOI: 10.17188/1724757
title: Materials Data on BeAl3 by Materials Project

description: BeAl3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Be is bonded to twelve Al atoms to form BeAl12 cuboctahedra that share corners with four equivalent BeAl12 cuboctahedra, corners with eight equivalent AlBe4Al8 cuboctahedra, edges with eight equivalent BeAl12 cuboctahedra, edges with sixteen equivalent AlBe4Al8 cuboctahedra, faces with four equivalent BeAl12 cuboctahedra, and faces with fourteen AlBe4Al8 cuboctahedra. There are eight shorter (2.74 Å) and four longer (2.75 Å) Be–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Be and eight Al atoms to form AlBe4Al8 cuboctahedra that share corners with twelve equivalent AlBe4Al8 cuboctahedra, edges with eight equivalent BeAl12 cuboctahedra, edges with sixteen AlBe4Al8 cuboctahedra, faces with four equivalent BeAl12 cuboctahedra, and faces with fourteen AlBe4Al8 cuboctahedra. There are four shorter (2.74 Å) and four longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Be and eight equivalent Al atoms to form AlBe4Al8 cuboctahedra that share corners with four equivalent AlBe4Al8 cuboctahedra, corners with eight equivalent BeAl12 cuboctahedra, edges with twenty-four AlBe4Al8 cuboctahedra, faces with six equivalent BeAl12 cuboctahedra, and faces with twelve AlBe4Al8 cuboctahedra.
DOI: 10.17188/1724758
title: Materials Data on PrDyIn2 by Materials Project

description: DyPrIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Dy–In bond lengths are 3.33 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pr–In bond lengths are 3.33 Å. In is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pr atoms.
DOI: 10.17188/1724760
title: Materials Data on InNi2Au by Materials Project

description: Ni2AuIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ni2AuIn ribbons oriented in the (1, 0, 0) direction. Ni is bonded in a linear geometry to one Au and one In atom. The Ni–Au bond length is 2.44 Å. The Ni–In bond length is 2.45 Å. Au is bonded in a linear geometry to two equivalent Ni atoms. In is bonded in a linear geometry to two equivalent Ni atoms.
DOI: 10.17188/1724761
title: Materials Data on Li5V(SiO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724763
title: Materials Data on Li4FeTe(WO6)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724764
title: Materials Data on UH6C3SeN2O7 by Materials Project

description: UC2N2H4SeO7CH2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four methane molecules and one UC2N2H4SeO7 sheet oriented in the (1, 0, 0) direction. In the UC2N2H4SeO7 sheet, U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.51 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to one N3- and one O2- atom. The C–N bond length is 1.32 Å. The C–O bond length is 1.27 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to one N3- and one O2- atom. The C–N bond length is 1.32 Å. The C–O bond length is 1.27 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.74 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one Se2- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one Se2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one Se2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U4+ atom.
DOI: 10.17188/1724765
title: Materials Data on SmAsSe by Materials Project

description: SmAsSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. All Sm–As bond lengths are 3.19 Å. There are four shorter (2.94 Å) and one longer (3.13 Å) Sm–Se bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.80 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Sm3+ atoms.