cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1266620
title: Materials Data on Cs2AlP3O10 by Materials Project

description: Cs2AlP3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.65 Å. In the second 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 3.03–3.45 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent AlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 35–40°. There are a spread of P–O bond distances ranging from 1.52–1.65 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one AlO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–44°. There are a spread of P–O bond distances ranging from 1.50–1.67 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Al3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Al3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Cs1+, one Al3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+, one Al3+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Al3+, and one P5+ atom.
DOI: 10.17188/1266623
title: Materials Data on Ga2Te2Cl7 by Materials Project

description: Ga2TeCl7Te crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four tellurium molecules and two Ga2TeCl7 ribbons oriented in the (2, 0, 1) direction. In each Ga2TeCl7 ribbon, there are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.16–2.34 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.16–2.35 Å. Te1+ is bonded in a 2-coordinate geometry to two Cl1- atoms. Both Te–Cl bond lengths are 3.31 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ and one Te1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ and one Te1+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the seventh Cl1- site, Cl1- is bonded in a water-like geometry to two Ga+2.50+ atoms.
DOI: 10.17188/1266624
title: Materials Data on Ce2SiTeO4 by Materials Project

description: Ce2SiTeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to three equivalent Te2- and six O2- atoms. There are one shorter (3.22 Å) and two longer (3.39 Å) Ce–Te bond lengths. There are a spread of Ce–O bond distances ranging from 2.49–2.63 Å. In the second Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to four equivalent Te2- and six O2- atoms. There are two shorter (3.39 Å) and two longer (3.67 Å) Ce–Te bond lengths. There are two shorter (2.55 Å) and four longer (2.56 Å) Ce–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Te2- is bonded in a 1-coordinate geometry to seven Ce3+ and ten O2- atoms. There are a spread of Te–O bond distances ranging from 3.35–3.70 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+, one Si4+, and two equivalent Te2- atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ce3+, one Si4+, and three equivalent Te2- atoms.
DOI: 10.17188/1266625
title: Materials Data on Ce2SiSeO4 by Materials Project

description: Ce2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.98 Å) and one longer (3.16 Å) Ce–Se bond lengths. There are four shorter (2.51 Å) and two longer (2.61 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Ce–Se bond lengths are 3.19 Å. There are a spread of Ce–O bond distances ranging from 2.50–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 1-coordinate geometry to four Ce3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom.
DOI: 10.17188/1266627
title: Materials Data on Na(RhO2)2 by Materials Project

description: NaRh2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.07 Å. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are two shorter (2.04 Å) and four longer (2.06 Å) Rh–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 square pyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Rh+3.50+ atoms.
DOI: 10.17188/1266628
title: Materials Data on Lu2Te4O11 by Materials Project

description: Lu2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.20–2.53 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.53 Å. In the second Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Lu3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Te4+ atom.
DOI: 10.17188/1266629
title: Materials Data on AlAs(H2O3)2 by Materials Project

description: AlAs(H2O3)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.89–1.97 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.56 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.59 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Al3+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Al3+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms.
DOI: 10.17188/1266630
title: Materials Data on Na3In2Au by Materials Project

description: Na3AuIn2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to two equivalent Au and four equivalent In atoms. Both Na–Au bond lengths are 3.38 Å. There are two shorter (3.24 Å) and two longer (3.34 Å) Na–In bond lengths. Au is bonded to six equivalent Na and six equivalent In atoms to form face-sharing AuNa6In6 cuboctahedra. All Au–In bond lengths are 2.97 Å. In is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Au atoms.
DOI: 10.17188/1266631
title: Materials Data on Na3In2Ag by Materials Project

description: Na3AgIn2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to two equivalent Ag and four equivalent In atoms. Both Na–Ag bond lengths are 3.41 Å. There are two shorter (3.31 Å) and two longer (3.38 Å) Na–In bond lengths. Ag is bonded to six equivalent Na and six equivalent In atoms to form face-sharing AgNa6In6 cuboctahedra. All Ag–In bond lengths are 2.99 Å. In is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Ag atoms.
DOI: 10.5281/zenodo.4282527
title: Next-generation sequencing of DNA from resting eggs: signatures of eutrophication in a lake's sediment

description: Supplementary data
description: Norwegian Research Council, IS-TOPP No. 238820 German Science Foundation EL 179/11-1
DOI: 10.17188/1266632
title: Materials Data on K4Na2(Si2O5)3 by Materials Project

description: K4Na2(Si2O5)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–2.98 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.21 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four SiO4 tetrahedra, an edgeedge with one SiO4 tetrahedra, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and corners with two equivalent NaO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.59–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.59–1.68 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and corners with two equivalent NaO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.59–1.68 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Na1+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Na1+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Si4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Na1+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Si4+ atoms.
DOI: 10.5281/zenodo.4282526
title: Next-generation sequencing of DNA from resting eggs: signatures of eutrophication in a lake's sediment

description: Supplementary data
description: Norwegian Research Council, IS-TOPP No. 238820 German Science Foundation EL 179/11-1
DOI: 10.17188/1266633
title: Materials Data on LaH6Au3C6(N2O)3 by Materials Project

description: LaAu3C6H6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All La–N bond lengths are 2.69 Å. All La–O bond lengths are 2.54 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to one La3+ and one C+2.67+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms.
DOI: 10.17188/1266635
title: Materials Data on HI3O8 by Materials Project

description: HI3O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two I5+ atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) O–I bond length. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I5+ atom. The O–I bond length is 1.93 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.82 Å) and one longer (2.58 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.83–2.65 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.35 Å) O–I bond lengths. In the sixth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.80 Å. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.82 Å) and one longer (2.53 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.82–2.81 Å. There are three inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to five O2- atoms. In the third I5+ site, I5+ is bonded in a 5-coordinate geometry to five O2- atoms.
DOI: 10.17188/1266636
title: Materials Data on Rb2RuO4 by Materials Project

description: Rb2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.52 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.51 Å. Ru6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ru–O bond distances ranging from 1.79–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom.
DOI: 10.17188/1266637
title: Materials Data on C2Se3N2 by Materials Project

description: C2N2Se3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. C4+ is bonded in a distorted single-bond geometry to one N1- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.85 Å. N1- is bonded in a single-bond geometry to one C4+ and three Se2- atoms. There are a spread of N–Se bond distances ranging from 3.20–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one C4+, two equivalent N1-, and one Se2- atom. The Se–Se bond length is 2.37 Å. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent Se2- atoms.
DOI: 10.17188/1266638
title: Materials Data on Mg2P2O7 by Materials Project

description: Mg2P2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with three equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.28 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–61°. There is three shorter (1.54 Å) and one longer (1.59 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one P5+ atom.
DOI: 10.17188/1266639
title: Materials Data on RuC4(O2F3)2 by Materials Project

description: Ru(CO2)2(CF3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four fluoroform molecules and one Ru(CO2)2 ribbon oriented in the (1, 0, 0) direction. In the Ru(CO2)2 ribbon, Ru6+ is bonded to five O2- atoms to form edge-sharing RuO5 square pyramids. There are a spread of Ru–O bond distances ranging from 2.07–2.43 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ru6+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one C2+ atom.
DOI: 10.17188/1266641
title: Materials Data on CsHCO2 by Materials Project

description: HCO2Cs crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded to eight O2- atoms to form a mixture of face, edge, and corner-sharing CsO8 hexagonal bipyramids. There are a spread of Cs–O bond distances ranging from 3.20–3.32 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.12 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one C2+ atom.
DOI: 10.17188/1266643
title: Materials Data on EuSi6 by Materials Project

description: EuSi6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eighteen Si atoms. There are a spread of Eu–Si bond distances ranging from 3.12–3.51 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Eu and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.37–2.44 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Eu and four Si atoms. All Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 4-coordinate geometry to three equivalent Eu and four Si atoms. The Si–Si bond length is 2.41 Å.