cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1754713
title: Materials Data on K3VSe4 by Materials Project

description: K3VSe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent Se2- atoms to form distorted KSe4 trigonal pyramids that share corners with four equivalent VSe4 tetrahedra and corners with eight equivalent KSe4 tetrahedra. All K–Se bond lengths are 3.60 Å. In the second K1+ site, K1+ is bonded to four equivalent Se2- atoms to form KSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra, corners with four equivalent VSe4 tetrahedra, and corners with four equivalent KSe4 trigonal pyramids. All K–Se bond lengths are 3.18 Å. V5+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with eight equivalent KSe4 tetrahedra and corners with four equivalent KSe4 trigonal pyramids. All V–Se bond lengths are 2.29 Å. Se2- is bonded in a 4-coordinate geometry to three K1+ and one V5+ atom.
DOI: 10.17188/1754714
title: Materials Data on KBa2(FeAs)6 by Materials Project

description: KBa2(FeAs)6 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight As3- atoms. There are four shorter (3.39 Å) and four longer (3.43 Å) K–As bond lengths. Ba2+ is bonded in a body-centered cubic geometry to eight As3- atoms. There are a spread of Ba–As bond distances ranging from 3.35–3.49 Å. There are two inequivalent Fe+2.17+ sites. In the first Fe+2.17+ site, Fe+2.17+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.33 Å) Fe–As bond lengths. In the second Fe+2.17+ site, Fe+2.17+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Fe–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to one K1+, three equivalent Ba2+, and four equivalent Fe+2.17+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to one K1+, three equivalent Ba2+, and four Fe+2.17+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ba2+, and four Fe+2.17+ atoms.
DOI: 10.17188/1754715
title: Materials Data on Li2V(PO3)4 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: 10.17188/1754716
title: Materials Data on Li4FeP2O9 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: 10.17188/1754717
title: Materials Data on Li8TiNi7O16 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: 10.17188/1754718
title: Materials Data on Mn2CuGe by Materials Project

description: Mn2CuGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Ge atoms to form distorted edge-sharing MnMn4Ge4 tetrahedra. All Mn–Mn bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Cu, and six equivalent Ge atoms. All Mn–Cu bond lengths are 2.58 Å. All Mn–Ge bond lengths are 2.98 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.58 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Cu atoms.
DOI: 10.17188/1754719
title: Materials Data on Mn(BO4)4 by Materials Project

description: Mn(BO4)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Mn(BO4)4 clusters. Mn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.58–1.75 Å. There are four inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the third B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.44–1.60 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one B and one O atom. The O–O bond length is 1.65 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a single-bond geometry to one B atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one B atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mn and one B atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the eighth O site, O is bonded in a single-bond geometry to one B and one O atom. The O–O bond length is 1.41 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the tenth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Mn atom. In the twelfth O site, O is bonded in a single-bond geometry to one Mn atom. In the thirteenth O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Mn atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the sixteenth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1754720
title: Materials Data on Li2CrO3 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: 10.17188/1754721
title: Materials Data on H3CSNOF2 by Materials Project

description: CNH3SOF2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CNH3SOF2 clusters. C4+ is bonded to one N1- and three H1+ atoms to form CH3N tetrahedra that share a cornercorner with one SNOF2 tetrahedra. The C–N bond length is 1.46 Å. All C–H bond lengths are 1.10 Å. N1- is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.47 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4+ atom. S2- is bonded to one N1-, one O2-, and two F1- atoms to form SNOF2 tetrahedra that share a cornercorner with one CH3N tetrahedra. The S–O bond length is 1.42 Å. Both S–F bond lengths are 1.61 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.
DOI: 10.17188/1754722
title: Materials Data on Tb2Fe17H3 by Materials Project

description: Tb2Fe17H3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to eight Fe and three equivalent H atoms. There are two shorter (2.92 Å) and six longer (3.21 Å) Tb–Fe bond lengths. All Tb–H bond lengths are 2.49 Å. In the second Tb site, Tb is bonded in a trigonal planar geometry to three equivalent H atoms. All Tb–H bond lengths are 2.44 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb and ten Fe atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent FeTb2Fe10 cuboctahedra, corners with two equivalent HTb2Fe4 octahedra, faces with six equivalent FeTb2Fe10 cuboctahedra, and faces with four equivalent HTb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one H atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–H bond length is 1.82 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Tb and thirteen Fe atoms. There are one shorter (2.38 Å) and three longer (2.66 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one H atom. The Fe–H bond length is 1.93 Å. H is bonded to two Tb and four Fe atoms to form HTb2Fe4 octahedra that share corners with two equivalent FeTb2Fe10 cuboctahedra, corners with four equivalent HTb2Fe4 octahedra, and faces with four equivalent FeTb2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1754723
title: Materials Data on Ce2In8Pt by Materials Project

description: Ce2PtIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve In atoms to form CeIn12 cuboctahedra that share corners with eight equivalent CeIn12 cuboctahedra, edges with twelve InCe4In8 cuboctahedra, faces with five equivalent CeIn12 cuboctahedra, and faces with eight InCe4In8 cuboctahedra. There are a spread of Ce–In bond distances ranging from 3.25–3.35 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pt–In bond lengths are 2.81 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ce, two equivalent Pt, and two equivalent In atoms. Both In–In bond lengths are 3.26 Å. In the second In site, In is bonded to four equivalent Ce and eight In atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent InCe4In8 cuboctahedra, edges with eight equivalent CeIn12 cuboctahedra, edges with eight equivalent InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with twelve InCe4In8 cuboctahedra. There are four shorter (3.34 Å) and four longer (3.35 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Ce and eight In atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent InCe4In8 cuboctahedra, edges with eight equivalent CeIn12 cuboctahedra, edges with eight equivalent InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with twelve InCe4In8 cuboctahedra. All In–In bond lengths are 3.34 Å. In the fourth In site, In is bonded to four equivalent Ce and eight In atoms to form distorted InCe4In8 cuboctahedra that share corners with eight equivalent InCe4In8 cuboctahedra, edges with four equivalent CeIn12 cuboctahedra, edges with eight InCe4In8 cuboctahedra, faces with four equivalent CeIn12 cuboctahedra, and faces with nine InCe4In8 cuboctahedra.
DOI: 10.17188/1754724
title: Materials Data on NaHo9(Si3O13)2 by Materials Project

description: NaHo9(SiO4)6O2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.91 Å. There are five inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.82 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.69 Å. In the third Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.76 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.78 Å. In the fifth Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.28 Å) and three longer (2.39 Å) Ho–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Ho3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ho3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ho3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Ho3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Ho3+, and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two Ho3+ and one Si4+ atom.
DOI: 10.17188/1754725
title: Materials Data on Pa3Cd by Materials Project

description: Pa3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Cd atoms to form PaPa8Cd4 cuboctahedra that share corners with twelve equivalent PaPa8Cd4 cuboctahedra, edges with eight equivalent CdPa12 cuboctahedra, edges with sixteen equivalent PaPa8Cd4 cuboctahedra, faces with four equivalent CdPa12 cuboctahedra, and faces with fourteen equivalent PaPa8Cd4 cuboctahedra. All Pa–Pa bond lengths are 3.27 Å. All Pa–Cd bond lengths are 3.27 Å. Cd is bonded to twelve equivalent Pa atoms to form CdPa12 cuboctahedra that share corners with twelve equivalent CdPa12 cuboctahedra, edges with twenty-four equivalent PaPa8Cd4 cuboctahedra, faces with six equivalent CdPa12 cuboctahedra, and faces with twelve equivalent PaPa8Cd4 cuboctahedra.
DOI: 10.17188/1754726
title: Materials Data on K3TaBr6 by Materials Project

description: K3TaBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent Br1- atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent KBr6 octahedra, and faces with four equivalent TaBr6 octahedra. All K–Br bond lengths are 4.06 Å. In the second K1+ site, K1+ is bonded to six equivalent Br1- atoms to form KBr6 octahedra that share corners with six equivalent TaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.11 Å. Ta3+ is bonded to six equivalent Br1- atoms to form TaBr6 octahedra that share corners with six equivalent KBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–Br bond lengths are 2.62 Å. Br1- is bonded in a linear geometry to five K1+ and one Ta3+ atom.
DOI: 10.17188/1754729
title: Materials Data on Mg(ClO5)2 by Materials Project

description: MgO6(ClO2)2 crystallizes in the tetragonal P4_2mc space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules and two magnesium;dihydroxide;tetrahydrate molecules.
DOI: 10.17188/1754730
title: Materials Data on BaCrO3 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: 10.17188/1754731
title: Materials Data on LiMnSiO4 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: 10.17188/1754732
title: Materials Data on NaNdC4O11 by Materials Project

description: NaNdC4O11 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.92 Å. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.98 Å. There are five inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both C–O bond lengths are 1.27 Å. In the third C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both C–O bond lengths are 1.27 Å. In the fifth C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.27 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Nd, and one C atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Nd, and one C atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Nd, and one C atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Na, one Nd, and one C atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one Na, one Nd, and one O atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Na, one Nd, and one C atom.
DOI: 10.17188/1754733
title: Materials Data on FeBi6P2(O7F)2 by Materials Project

description: FeBi6P2(O7F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent PO3F tetrahedra. There are a spread of Fe–O bond distances ranging from 1.97–2.52 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.92 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Bi–O bond distances ranging from 2.24–3.09 Å. The Bi–F bond length is 3.00 Å. In the third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.90 Å. P5+ is bonded to three O2- and one F1- atom to form PO3F tetrahedra that share corners with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are a spread of P–O bond distances ranging from 1.52–1.54 Å. The P–F bond length is 1.63 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Fe2+ and two Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe2+, one Bi3+, and one P5+ atom. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Fe2+, two Bi3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. In the eighth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. F1- is bonded in a single-bond geometry to one Bi3+ and one P5+ atom.
DOI: 10.17188/1754734
title: Materials Data on Ni(HO)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: 10.17188/1754735
title: Materials Data on Ce2(CuSn)3 by Materials Project

description: Ce2(CuSn)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ce2(CuSn)3 ribbon oriented in the (0, 0, 1) direction. Ce is bonded in a linear geometry to one Cu and one Sn atom. The Ce–Cu bond length is 2.62 Å. The Ce–Sn bond length is 2.93 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to one Ce and one Sn atom. The Cu–Sn bond length is 2.47 Å. In the second Cu site, Cu is bonded in a linear geometry to two equivalent Sn atoms. Both Cu–Sn bond lengths are 2.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a linear geometry to one Ce and one Cu atom. In the second Sn site, Sn is bonded in a linear geometry to two equivalent Cu atoms.