cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722638
title: Materials Data on Ag3As by Materials Project

description: Ag3As is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eight equivalent AsAg12 cuboctahedra, edges with sixteen AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with fourteen AgAg8As4 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.97 Å) Ag–Ag bond lengths. All Ag–As bond lengths are 2.96 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AgAg8As4 cuboctahedra, corners with eight equivalent AsAg12 cuboctahedra, edges with twenty-four AgAg8As4 cuboctahedra, faces with six equivalent AsAg12 cuboctahedra, and faces with twelve AgAg8As4 cuboctahedra. All Ag–As bond lengths are 2.97 Å. As3- is bonded to twelve Ag1+ atoms to form AsAg12 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with eight equivalent AgAg8As4 cuboctahedra, edges with eight equivalent AsAg12 cuboctahedra, edges with sixteen equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with fourteen AgAg8As4 cuboctahedra.
DOI: 10.17188/1722639
title: Materials Data on CsCeSiS4 by Materials Project

description: CsCeSiS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.51–3.81 Å. Ce3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ce–S bond distances ranging from 2.88–2.95 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.14 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Ce3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Cs1+, one Ce3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Ce3+, and one Si4+ atom.
DOI: 10.17188/1722640
title: Materials Data on Pr3Gd3Mn23 by Materials Project

description: Gd3Pr3Mn23 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Gd–Mn bond distances ranging from 2.94–3.11 Å. Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.96–3.18 Å. There are eleven inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to two equivalent Gd, one Pr, and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.38–2.67 Å. In the second Mn site, Mn is bonded to two equivalent Gd, two equivalent Pr, and eight Mn atoms to form a mixture of face and corner-sharing MnPr2Gd2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.72 Å. In the third Mn site, Mn is bonded to two equivalent Gd, two equivalent Pr, and eight Mn atoms to form a mixture of face and corner-sharing MnPr2Gd2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.48–2.71 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Gd and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.50–2.96 Å. In the fifth Mn site, Mn is bonded in a 10-coordinate geometry to one Gd, two equivalent Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.98 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pr and ten Mn atoms. The Mn–Mn bond length is 2.56 Å. In the seventh Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Gd, one Pr, and ten Mn atoms. There are one shorter (2.56 Å) and one longer (2.64 Å) Mn–Mn bond lengths. In the eighth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. In the ninth Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Gd and nine Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the tenth Mn site, Mn is bonded to one Gd, two equivalent Pr, and nine Mn atoms to form a mixture of distorted face and corner-sharing MnPr2GdMn9 cuboctahedra. Both Mn–Mn bond lengths are 2.51 Å. In the eleventh Mn site, Mn is bonded to three equivalent Pr and nine Mn atoms to form a mixture of face and corner-sharing MnPr3Mn9 cuboctahedra.
DOI: 10.17188/1722641
title: Materials Data on Sr(SbN2)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: 10.17188/1722642
title: Materials Data on CsMnH4(OF2)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: 10.17188/1722643
title: Materials Data on Cr(PO3)2 by Materials Project

description: Cr(PO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 2.08–2.13 Å. In the second Cr2+ site, Cr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cr–O bond distances ranging from 2.07–2.43 Å. There are four 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 1.49–1.63 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 1.50–1.61 Å. In the third 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 1.47–1.63 Å. In the fourth 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 1.49–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Cr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Cr2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr2+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1722644
title: Materials Data on Ho5Bi3 by Materials Project

description: Ho5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.11–3.53 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.12–3.51 Å. In the third Ho site, Ho is bonded to five Bi atoms to form distorted edge-sharing HoBi5 square pyramids. There are a spread of Ho–Bi bond distances ranging from 3.17–3.25 Å. In the fourth Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.06–3.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1722646
title: Materials Data on Mg2V3FeS8 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: 10.6084/m9.figshare.13684675
title: Additional file 2 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 2. GeneWalk outputs using INDRA or PC as the knowledge bases for differentially expressed genes from the qki, JQ1 and IsoG contexts.
DOI: 10.6084/m9.figshare.13684678.v1
title: Additional file 3 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 3. Gene function benchmark ground truth and model predictions for qki and JQ1 contexts. The sheets named after the publications used to generate the ground truth (SciRep2016Darbelli, MolCell2016Winter, CancerCell2012Sanda_abstract and CancerRes2018Sharma_abstract) contain all relevant genes, biological context terms and text sections extracted from the respective publications (all columns are further described in detail in Materials and Methods section: Context-specific gene-function benchmarks). The remaining two sheets (Benchmark_qki and Benchmark_JQ1) contain all the DE genes and their GO annotations that corresponded to the benchmark genes. For GW (INDRA) the connected GO terms originating from INDRA through its text mining are also listed. The column bm_truth indicates the binary ground truth: TRUE if any context term from the ground truth publications matched the GO term through regular expression and FALSE otherwise (see Methods section: Context-specific gene-function benchmarks for details). Also shown are the FDR adjusted p-values (padj) values for each method and the corresponding binarized values (TRUE if padj
DOI: 10.17188/1722647
title: Materials Data on Tl2HgAu by Materials Project

description: AuHgTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AuHgTl2 ribbons oriented in the (0, 1, 0) direction. Au is bonded in a linear geometry to two equivalent Tl atoms. Both Au–Tl bond lengths are 2.82 Å. Hg is bonded in a linear geometry to two equivalent Tl atoms. Both Hg–Tl bond lengths are 3.38 Å. Tl is bonded in a linear geometry to one Au and one Hg atom.
DOI: 10.6084/m9.figshare.13684681
title: Additional file 4 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 4. Twenty genes identified in JQ1 condition with more than 40 GO annotations of which at most 50% were relevant. (CSV 1 kb)
DOI: 10.6084/m9.figshare.13684675.v1
title: Additional file 2 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 2. GeneWalk outputs using INDRA or PC as the knowledge bases for differentially expressed genes from the qki, JQ1 and IsoG contexts.
DOI: 10.6084/m9.figshare.13684681.v1
title: Additional file 4 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 4. Twenty genes identified in JQ1 condition with more than 40 GO annotations of which at most 50% were relevant. (CSV 1 kb)
DOI: 10.17188/1722648
title: Materials Data on Ti3Cd by Materials Project

description: Ti3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with twelve equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi12 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with four equivalent CdTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Cd4 cuboctahedra. All Ti–Ti bond lengths are 2.94 Å. All Ti–Cd bond lengths are 2.94 Å. Cd is bonded to twelve equivalent Ti atoms to form CdTi12 cuboctahedra that share corners with twelve equivalent CdTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent CdTi12 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra.
DOI: 10.6084/m9.figshare.13684678
title: Additional file 3 of GeneWalk identifies relevant gene functions for a biological context using network representation learning

description: Additional file 3. Gene function benchmark ground truth and model predictions for qki and JQ1 contexts. The sheets named after the publications used to generate the ground truth (SciRep2016Darbelli, MolCell2016Winter, CancerCell2012Sanda_abstract and CancerRes2018Sharma_abstract) contain all relevant genes, biological context terms and text sections extracted from the respective publications (all columns are further described in detail in Materials and Methods section: Context-specific gene-function benchmarks). The remaining two sheets (Benchmark_qki and Benchmark_JQ1) contain all the DE genes and their GO annotations that corresponded to the benchmark genes. For GW (INDRA) the connected GO terms originating from INDRA through its text mining are also listed. The column bm_truth indicates the binary ground truth: TRUE if any context term from the ground truth publications matched the GO term through regular expression and FALSE otherwise (see Methods section: Context-specific gene-function benchmarks for details). Also shown are the FDR adjusted p-values (padj) values for each method and the corresponding binarized values (TRUE if padj
DOI: 10.17188/1722649
title: Materials Data on CaP2O9 by Materials Project

description: CaP2O9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CaP2O9 sheet oriented in the (0, 0, 1) direction. Ca is bonded to six O atoms to form distorted CaO6 pentagonal pyramids that share corners with four PO4 tetrahedra, edges with two equivalent CaO6 pentagonal pyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.27–2.59 Å. 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 CaO6 pentagonal pyramids and an edgeedge with one CaO6 pentagonal pyramid. There are a spread of P–O bond distances ranging from 1.50–1.86 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one CaO6 pentagonal pyramid. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one P atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ca and one P atom. In the third O site, O is bonded in a distorted water-like geometry to one Ca and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.29 Å. In the fifth O site, O is bonded in a distorted linear geometry to one Ca and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a single-bond geometry to one P atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1722650
title: Materials Data on MnCoNiSn by Materials Project

description: NiCoMnSn is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Co, four equivalent Ni, and six equivalent Sn atoms. All Mn–Co bond lengths are 2.61 Å. All Mn–Ni bond lengths are 2.61 Å. All Mn–Sn bond lengths are 3.01 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Co–Sn bond lengths are 2.61 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.61 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Mn, four equivalent Co, and four equivalent Ni atoms.
DOI: 10.17188/1722651
title: Materials Data on H2 by Materials Project

description: H2 is Cubic alpha N2-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four hydrogen molecules. H is bonded in a single-bond geometry to one H atom. The H–H bond length is 0.75 Å.
DOI: 10.6084/m9.figshare.13684691
title: Additional file 1 of Smartphone-based dispatch of community first responders to out-of-hospital cardiac arrest - statements from an international consensus conference

description: Additional file 1.
DOI: 10.17188/1722653
title: Materials Data on Gd3Ag by Materials Project

description: Gd3Ag is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a distorted see-saw-like geometry to four equivalent Ag atoms. There are two shorter (3.34 Å) and two longer (3.46 Å) Gd–Ag bond lengths. Ag is bonded to twelve equivalent Gd atoms to form a mixture of corner and face-sharing AgGd12 cuboctahedra.
DOI: 10.6084/m9.figshare.13684691.v1
title: Additional file 1 of Smartphone-based dispatch of community first responders to out-of-hospital cardiac arrest - statements from an international consensus conference

description: Additional file 1.
DOI: 10.17188/1722654
title: Materials Data on Th(As3Os)4 by Materials Project

description: Th(OsAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of two thorium molecules and one OsAs3 framework. In the OsAs3 framework, Os2- is bonded to six equivalent As+0.33+ atoms to form corner-sharing OsAs6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Os–As bond lengths are 2.47 Å. As+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Os2- atoms.
DOI: 10.17188/1722655
title: Materials Data on Zr7(Te2N)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: 10.17188/1722656
title: Materials Data on Li2Ni3(P2O7)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: 10.17188/1722657
title: Materials Data on Ca2Al4Si8O33 by Materials Project

description: (CaAl2(SiO4)4)4O2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of two water molecules and one CaAl2(SiO4)4 framework. In the CaAl2(SiO4)4 framework, Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.98 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.80 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Ca, one Al, and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the sixth O site, O is bonded in an L-shaped geometry to two equivalent O atoms. Both O–O bond lengths are 1.49 Å. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to one Ca and two equivalent O atoms. In the eighth O site, O is bonded in a single-bond geometry to one Ca atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the tenth O site, O is bonded in a 3-coordinate geometry to one Ca, one Al, and one Si atom.
DOI: 10.17188/1722658
title: Materials Data on LaSmCr2O6 by Materials Project

description: SmLaCr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.70 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.82 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Cr–O bond distances ranging from 2.00–2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sm3+, one La3+, and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Sm3+, two equivalent La3+, and two equivalent Cr3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cr3+ atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1722659
title: Materials Data on FeS4Br4N5 by Materials Project

description: (FeBr4)2N2(NS)8 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules; four ammonia molecules; and four tetrabromoiron molecules.
DOI: 10.17188/1722660
title: Materials Data on CaEuTl2 by Materials Project

description: CaEuTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ca–Tl bond lengths are 3.40 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Eu–Tl bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Eu atoms.