cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187513
title: Materials Data on BaPS3 by Materials Project

description: BaPS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.24–3.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.03 Å) and two longer (2.04 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one P4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one P4+ atom.
DOI: 10.17188/1187514
title: Materials Data on CaPSe3 by Materials Project

description: CaPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ca–Se bond distances ranging from 3.04–3.38 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. All P–Se bond lengths are 2.21 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ca2+ and one P4+ atom.
DOI: 10.17188/1187515
title: Materials Data on BaPSe3 by Materials Project

description: BaPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.37–3.87 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one P4+ atom.
DOI: 10.21957/2hd6-3h68
title: Deterministic ECMWF reference analysis for the summer period
DOI: 10.17188/1187516
title: Materials Data on CaC2(SN)2 by Materials Project

description: Ca(NCS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. All Ca–N bond lengths are 2.54 Å. There are two shorter (3.08 Å) and two longer (3.26 Å) Ca–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one C4+ atom.
DOI: 10.17188/1187517
title: Materials Data on TmAs by Materials Project

description: TmAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing TmAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–As bond lengths are 2.88 Å. As3- is bonded to six equivalent Tm3+ atoms to form a mixture of edge and corner-sharing AsTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187518
title: Materials Data on KNdTe4 by Materials Project

description: KNdTe4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All K–Te bond lengths are 3.71 Å. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All Nd–Te bond lengths are 3.29 Å. Te1- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Nd3+, and one Te1- atom. The Te–Te bond length is 2.83 Å.
DOI: 10.17188/1187519
title: Materials Data on RbNdTe4 by Materials Project

description: RbNdTe4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All Rb–Te bond lengths are 3.84 Å. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Te1- atoms. All Nd–Te bond lengths are 3.29 Å. Te1- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Nd3+, and one Te1- atom. The Te–Te bond length is 2.83 Å.
DOI: 10.17188/1187520
title: Materials Data on Sr(BS2)2 by Materials Project

description: Sr(BS2)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.16–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Sr–S bond lengths are 3.07 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Sr2+ and two equivalent B3+ atoms.
DOI: 10.17188/1187521
title: Materials Data on K2TeOF4 by Materials Project

description: K2TeOF4 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2TeOF4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to one O2- and four equivalent F1- atoms to form distorted KOF4 square pyramids that share corners with five equivalent TeOF4 square pyramids and faces with four equivalent KO4F8 cuboctahedra. The K–O bond length is 2.71 Å. All K–F bond lengths are 2.61 Å. In the second K1+ site, K1+ is bonded to four equivalent O2- and eight equivalent F1- atoms to form distorted KO4F8 cuboctahedra that share corners with four equivalent KO4F8 cuboctahedra, faces with four equivalent KO4F8 cuboctahedra, faces with four equivalent KOF4 square pyramids, and faces with four equivalent TeOF4 square pyramids. There are two shorter (3.22 Å) and two longer (3.37 Å) K–O bond lengths. There are four shorter (2.99 Å) and four longer (3.12 Å) K–F bond lengths. Te4+ is bonded to one O2- and four equivalent F1- atoms to form TeOF4 square pyramids that share corners with five equivalent KOF4 square pyramids and faces with four equivalent KO4F8 cuboctahedra. The Te–O bond length is 1.82 Å. All Te–F bond lengths are 2.10 Å. O2- is bonded in a 1-coordinate geometry to five K1+ and one Te4+ atom. F1- is bonded in a 2-coordinate geometry to three K1+ and one Te4+ atom.
DOI: 10.17188/1187522
title: Materials Data on RbCd(NO2)3 by Materials Project

description: RbCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 3.14–3.38 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.69 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Cd2+, and one N3+ atom.
DOI: 10.17188/1187523
title: Materials Data on KCd(NO2)3 by Materials Project

description: KCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.43 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.65 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Cd2+, and one N3+ atom.
DOI: 10.17188/1187524
title: Materials Data on TlCd(NO2)3 by Materials Project

description: CdTl(NO2)3 crystallizes in the trigonal R3 space group. The structure is two-dimensional and consists of three CdTl(NO2)3 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.51 Å) and three longer (2.65 Å) Cd–O bond lengths. Tl3+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 3.00 Å. N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+, one Tl3+, and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and one N+2.33+ atom.
DOI: 10.17188/1187525
title: Materials Data on GaCuO2 by Materials Project

description: CuGaO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.87 Å. Ga3+ is bonded to six equivalent O2- atoms to form edge-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded to one Cu1+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa3Cu tetrahedra.
DOI: 10.17188/1187526
title: Materials Data on LuN by Materials Project

description: LuN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–N bond lengths are 2.38 Å. N3- is bonded to six equivalent Lu3+ atoms to form a mixture of edge and corner-sharing NLu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187527
title: Materials Data on GaAgO2 by Materials Project

description: AgGaO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. Ga3+ is bonded to six equivalent O2- atoms to form edge-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded to one Ag1+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa3Ag tetrahedra.
DOI: 10.17188/1187528
title: Materials Data on GaAuO2 by Materials Project

description: AuGaO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.12 Å. Ga3+ is bonded to six equivalent O2- atoms to form edge-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded to one Au1+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa3Au tetrahedra.
DOI: 10.17188/1187529
title: Materials Data on ScAgO2 by Materials Project

description: ScAgO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.13 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.10 Å. O2- is bonded to three equivalent Sc3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OSc3Ag tetrahedra.
DOI: 10.17188/1187530
title: Materials Data on ScAuO2 by Materials Project

description: ScAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.14 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. O2- is bonded to three equivalent Sc3+ and one Au1+ atom to form a mixture of distorted edge and corner-sharing OSc3Au tetrahedra.
DOI: 10.17188/1187531
title: Materials Data on ZnP2 by Materials Project

description: ZnP2 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.42 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.23 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra.
DOI: 10.17188/1187534
title: Materials Data on K3Hg11 by Materials Project

description: K3Hg11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.67–4.01 Å. In the second K site, K is bonded to twelve Hg atoms to form distorted face-sharing KHg12 cuboctahedra. There are four shorter (3.75 Å) and eight longer (4.04 Å) K–Hg bond lengths. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 7-coordinate geometry to three K and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.16 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to five K and five Hg atoms. There are one shorter (3.06 Å) and one longer (3.16 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Hg atoms. In the fourth Hg site, Hg is bonded in a 12-coordinate geometry to four equivalent K and four equivalent Hg atoms.
DOI: 10.17188/1187535
title: Materials Data on Y(Al2Cu)4 by Materials Project

description: Al8Cu4Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Y–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.21 Å) Y–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five Al atoms. There are one shorter (2.67 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.
DOI: 10.17188/1187536
title: Materials Data on LuSi2 by Materials Project

description: LuSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing LuSi12 cuboctahedra. All Lu–Si bond lengths are 3.03 Å. Si is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Si atoms. All Si–Si bond lengths are 2.36 Å.
DOI: 10.17188/1187537
title: Materials Data on CeAl7Au3 by Materials Project

description: CeAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Ce–Au bond lengths are 3.29 Å. There are six shorter (3.32 Å) and six longer (3.41 Å) Ce–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.60–2.69 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Ce and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.
DOI: 10.17188/1187538
title: Materials Data on TbAl7Au3 by Materials Project

description: TbAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Tb–Au bond lengths are 3.26 Å. There are six shorter (3.32 Å) and six longer (3.38 Å) Tb–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Tb and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.59–2.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Tb and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.
DOI: 10.17188/1187539
title: Materials Data on PrAl7Au3 by Materials Project

description: PrAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Pr–Au bond lengths are 3.30 Å. There are six shorter (3.34 Å) and six longer (3.41 Å) Pr–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.61–2.69 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Pr and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.
DOI: 10.17188/1187540
title: Materials Data on Lu(Al2Fe)4 by Materials Project

description: LuFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Lu–Fe bond lengths are 3.31 Å. There are four shorter (2.94 Å) and eight longer (3.14 Å) Lu–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.51 Å) and four longer (2.62 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.68 Å.
DOI: 10.17188/1187541
title: Materials Data on Zr6Al2Fe by Materials Project

description: Zr6FeAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Al atoms. The Zr–Fe bond length is 3.18 Å. All Zr–Al bond lengths are 2.95 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Zr–Fe bond lengths are 2.59 Å. Both Zr–Al bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1187542
title: Materials Data on LaMg by Materials Project

description: MgLa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent La atoms. All Mg–La bond lengths are 3.43 Å. La is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1187543
title: Materials Data on EuZnSn by Materials Project

description: EuZnSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. There are a spread of Eu–Zn bond distances ranging from 3.23–3.64 Å. There are a spread of Eu–Sn bond distances ranging from 3.33–3.47 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Sn atoms. There are three shorter (2.79 Å) and one longer (3.03 Å) Zn–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Zn atoms.
DOI: 10.17188/1187544
title: Materials Data on BaO2 by Materials Project

description: BaO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a distorted q4 geometry to ten equivalent O atoms. There are two shorter (2.74 Å) and eight longer (2.83 Å) Ba–O bond lengths. O is bonded in a 6-coordinate geometry to five equivalent Ba and one O atom. The O–O bond length is 1.50 Å.
DOI: 10.17188/1187545
title: Materials Data on NaSn by Materials Project

description: NaSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.42–3.57 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are four shorter (3.37 Å) and two longer (3.47 Å) Na–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to seven Na and three equivalent Sn atoms. There are one shorter (3.03 Å) and two longer (3.05 Å) Sn–Sn bond lengths.
DOI: 10.17188/1187546
title: Materials Data on RbSn by Materials Project

description: RbSn crystallizes in the tetragonal I4_1/acd 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 eight equivalent Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.94–4.00 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Rb–Sn bond distances ranging from 3.89–4.04 Å. Sn is bonded in a 10-coordinate geometry to seven Rb and three equivalent Sn atoms. There are one shorter (3.00 Å) and two longer (3.01 Å) Sn–Sn bond lengths.
DOI: 10.17188/1187547
title: Materials Data on CsSn by Materials Project

description: CsSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.06–4.21 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.09–4.19 Å. Sn is bonded in a 10-coordinate geometry to seven Cs and three equivalent Sn atoms. There are one shorter (2.99 Å) and two longer (3.00 Å) Sn–Sn bond lengths.