cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1277590
title: Materials Data on Cs3NaLi2(BO3)2 by Materials Project

description: Cs3NaLi2(BO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.99–3.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.97–3.41 Å. In the third Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.96–3.63 Å. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.50 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.05 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.01 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.42 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.40 Å) and one longer (1.41 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Cs1+, two Li1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Cs1+, two Li1+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+, one Na1+, one Li1+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, two equivalent Na1+, one Li1+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Cs1+, one Na1+, one Li1+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Cs1+, one Na1+, one Li1+, and one B3+ atom.
DOI: 10.17188/1277591
title: Materials Data on FeSeBr7 by Materials Project

description: FeSeBr7 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two FeSeBr7 ribbons oriented in the (0, 1, 0) direction. Fe3+ is bonded in a tetrahedral geometry to four Br+0.14- atoms. There are a spread of Fe–Br bond distances ranging from 2.35–2.37 Å. Se2- is bonded in a 6-coordinate geometry to six Br+0.14- atoms. There are a spread of Se–Br bond distances ranging from 2.37–3.39 Å. There are seven inequivalent Br+0.14- sites. In the first Br+0.14- site, Br+0.14- is bonded in a distorted single-bond geometry to one Fe3+ and one Se2- atom. In the second Br+0.14- site, Br+0.14- is bonded in a single-bond geometry to one Se2- atom. In the third Br+0.14- site, Br+0.14- is bonded in a single-bond geometry to one Se2- atom. In the fourth Br+0.14- site, Br+0.14- is bonded in a distorted single-bond geometry to one Fe3+ and one Se2- atom. In the fifth Br+0.14- site, Br+0.14- is bonded in a distorted single-bond geometry to one Fe3+ and one Se2- atom. In the sixth Br+0.14- site, Br+0.14- is bonded in a single-bond geometry to one Se2- atom. In the seventh Br+0.14- site, Br+0.14- is bonded in a single-bond geometry to one Fe3+ atom.
DOI: 10.17188/1277593
title: Materials Data on CsInI4 by Materials Project

description: CsInI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.16–4.50 Å. In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.74–2.78 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one In3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one In3+ atom.
DOI: 10.17188/1277594
title: Materials Data on Hf2Co3Si4 by Materials Project

description: Hf2Co3Si4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.74–3.04 Å. There are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.32–2.41 Å. In the second Co+2.67+ site, Co+2.67+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.48 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent Hf4+ and five Co+2.67+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Hf4+ and three Co+2.67+ atoms.
DOI: 10.17188/1277595
title: Materials Data on TiCo3 by Materials Project

description: Co3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Co atoms to form TiCo12 cuboctahedra that share corners with twelve equivalent TiCo12 cuboctahedra, edges with twenty-four equivalent CoTi4Co8 cuboctahedra, faces with six equivalent TiCo12 cuboctahedra, and faces with twelve equivalent CoTi4Co8 cuboctahedra. All Ti–Co bond lengths are 2.55 Å. Co is bonded to four equivalent Ti and eight equivalent Co atoms to form CoTi4Co8 cuboctahedra that share corners with twelve equivalent CoTi4Co8 cuboctahedra, edges with eight equivalent TiCo12 cuboctahedra, edges with sixteen equivalent CoTi4Co8 cuboctahedra, faces with four equivalent TiCo12 cuboctahedra, and faces with fourteen equivalent CoTi4Co8 cuboctahedra. All Co–Co bond lengths are 2.55 Å.
DOI: 10.17188/1277596
title: Materials Data on BaNd2CoS5 by Materials Project

description: BaNd2CoS5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten S2- atoms. There are two shorter (3.38 Å) and eight longer (3.39 Å) Ba–S bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.81–3.04 Å. Co2+ is bonded in a distorted tetrahedral geometry to four equivalent S2- atoms. All Co–S bond lengths are 2.24 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+, three equivalent Nd3+, and one Co2+ atom to form a mixture of distorted edge, face, and corner-sharing SBa2Nd3Co octahedra. The corner-sharing octahedra tilt angles range from 32–63°. In the second S2- site, S2- is bonded to two equivalent Ba2+ and four equivalent Nd3+ atoms to form SBa2Nd4 octahedra that share corners with twenty-two SBa2Nd4 octahedra and faces with eight equivalent SBa2Nd3Co octahedra. The corner-sharing octahedra tilt angles range from 0–63°.
DOI: 10.17188/1277597
title: Materials Data on K2Ge2Pb2O7 by Materials Project

description: K2Pb2Ge2O7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.91–3.21 Å. Pb2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.22 Å. Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There is three shorter (1.77 Å) and one longer (1.81 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+, one Pb2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1277598
title: Materials Data on NaNpCO5 by Materials Project

description: NaNpO2CO3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.96 Å. Np5+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.85 Å) and one longer (1.86 Å) Np–O bond length. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.32 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Np5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Np5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one C4+ atom.
DOI: 10.17188/1277599
title: Materials Data on NO2 by Materials Project

description: NO2 crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of twelve nitrous acid molecules. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.21 Å. O is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1277600
title: Materials Data on SrIn by Materials Project

description: SrIn crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.42–3.82 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.44–3.62 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.41–3.79 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.44–3.64 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.43–3.84 Å. In the sixth Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.47–3.68 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.46–3.68 Å. In the eighth Sr site, Sr is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Sr–In bond distances ranging from 3.43–3.81 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. There are a spread of In–In bond distances ranging from 3.24–3.49 Å. In the second In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. There are a spread of In–In bond distances ranging from 3.16–3.47 Å. In the third In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. There are one shorter (3.26 Å) and one longer (3.48 Å) In–In bond lengths. In the fourth In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. There are one shorter (3.28 Å) and one longer (3.47 Å) In–In bond lengths. In the fifth In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. The In–In bond length is 3.28 Å. In the sixth In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. In the seventh In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms. The In–In bond length is 3.15 Å. In the eighth In site, In is bonded in a 10-coordinate geometry to seven Sr and three In atoms.
DOI: 10.17188/1277601
title: Materials Data on Al3(PO4)4 by Materials Project

description: Al3(PO4)4 crystallizes in the trigonal P-3c1 space group. The structure is two-dimensional and consists of two Al3(PO4)4 sheets oriented in the (0, 0, 1) direction. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four PO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra. There is one shorter (1.53 Å) and three longer (1.55 Å) P–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Al and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a single-bond geometry to one P atom.
DOI: 10.17188/1277602
title: Materials Data on Rb3Pb4Au by Materials Project

description: Rb3AuPb4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Rb, two equivalent Au, and eight Pb atoms. Both Rb–Rb bond lengths are 4.08 Å. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Pb bond distances ranging from 3.72–4.27 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to one Rb and three Pb atoms. There are one shorter (3.63 Å) and two longer (3.77 Å) Rb–Pb bond lengths. Au is bonded in a 6-coordinate geometry to two equivalent Rb and four Pb atoms. There are two shorter (2.91 Å) and two longer (2.93 Å) Au–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Rb and one Au atom. In the second Pb site, Pb is bonded in a 2-coordinate geometry to three Rb and one Au atom.
DOI: 10.17188/1277603
title: Materials Data on Ba2Ti(SiO4)2 by Materials Project

description: Ba2TiSi2O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.41 Å. Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.70 Å) and four longer (1.99 Å) Ti–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent TiO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Ba2+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ti4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Si4+ atom.
DOI: 10.17188/1277604
title: Materials Data on S by Materials Project

description: S is Modderite-derived structured and crystallizes in the trigonal P3 space group. The structure is zero-dimensional and consists of four 1,2,3-trithiacyclopropane molecules and three hydrogen disulfide molecules.
DOI: 10.17188/1277605
title: Materials Data on P4S3I2 by Materials Project

description: P4S3I2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 3,5-diiodo-2,6,7-trithia-1,3,4,5-tetraphosphabicyclo[2.2.1]heptane molecules. there are three inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one S2- and one I1- atom. The P–S bond length is 2.14 Å. The P–I bond length is 2.50 Å. In the second P2+ site, P2+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.12 Å. In the third P2+ site, P2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.11 Å) and two longer (2.14 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P2+ atoms. I1- is bonded in a single-bond geometry to one P2+ atom.
DOI: 10.17188/1277606
title: Materials Data on Gd2S3 by Materials Project

description: Gd2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing GdS7 pentagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.77–2.84 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.85–3.37 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Gd3+ atoms. In the second S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd5 square pyramids.
DOI: 10.17188/1277607
title: Materials Data on NaClO3 (SG:198) 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: 10.17188/1277608
title: Materials Data on K2CuPb(NO2)6 by Materials Project

description: K2PbCu(NO2)6 crystallizes in the cubic F23 space group. The structure is three-dimensional and consists of four copper molecules and one K2Pb(NO2)6 framework. In the K2Pb(NO2)6 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.21 Å. Pb2+ is bonded in a distorted q6 geometry to twelve equivalent O2- atoms. All Pb–O bond lengths are 2.72 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two K1+, one Pb2+, and one N3+ atom.
DOI: 10.17188/1277609
title: Materials Data on CsC2I3N2 by Materials Project

description: CsC2N2I3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four equivalent I1- atoms. There are two shorter (3.18 Å) and two longer (3.53 Å) Cs–N bond lengths. There are two shorter (3.94 Å) and two longer (4.30 Å) Cs–I bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one I1- atom. The C–N bond length is 1.17 Å. The C–I bond length is 2.06 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one C4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one C4+ and one I1- atom. The I–I bond length is 3.30 Å. In the second I1- site, I1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent I1- atoms.
DOI: 10.17188/1277610
title: Materials Data on Cu8Ge5C4(S2N)8 by Materials Project

description: Cu8Ge5S16(CN2)4 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional and consists of eight cyanamide molecules and one Cu8Ge5S16 framework. In the Cu8Ge5S16 framework, Cu+1.50+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.23 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form edge-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. In the third Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ge–S bond lengths are 2.26 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ge4+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+1.50+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1277611
title: Materials Data on Co5Te4Cl4O11 (SG: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: 10.17188/1277612
title: Materials Data on SmClF by Materials Project

description: SmClF crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one SmClF sheet oriented in the (0, 0, 1) direction. Sm2+ is bonded in a 8-coordinate geometry to four equivalent Cl1- and four equivalent F1- atoms. All Sm–Cl bond lengths are 2.88 Å. All Sm–F bond lengths are 2.51 Å. Cl1- is bonded in a 4-coordinate geometry to four equivalent Sm2+ atoms. F1- is bonded in a 4-coordinate geometry to four equivalent Sm2+ atoms.