cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189732
title: Materials Data on Na3SrLaZnSi6O17 by Materials Project

description: Na3SrLaZnSi6O17 is Esseneite-derived structured and crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.76 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent SiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.80 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.77 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.97 Å) and two longer (1.99 Å) Zn–O bond length. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with two SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NaO6 octahedra, a cornercorner with one ZnO4 tetrahedra, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are a spread of Si–O bond distances ranging from 1.60–1.70 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–74°. There is one shorter (1.60 Å) and three longer (1.67 Å) Si–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Si4+ atoms. In the third O2- site, O2- is bonded to one Na1+, one La3+, one Zn2+, and one Si4+ atom to form distorted corner-sharing ONaLaZnSi tetrahedra. In the fourth O2- site, O2- is bonded to one Na1+, one Sr2+, one Zn2+, and one Si4+ atom to form distorted corner-sharing ONaSrZnSi tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, one Sr2+, and two Si4+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one La3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and two equivalent Si4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Sr2+, and one Si4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one La3+, and one Si4+ atom.
DOI: 10.17188/1189733
title: Materials Data on Nb3Ge by Materials Project

description: Nb3Ge crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Ge atoms. Both Nb–Nb bond lengths are 2.59 Å. All Nb–Ge bond lengths are 2.89 Å. Ge is bonded to twelve equivalent Nb atoms to form a mixture of edge and face-sharing GeNb12 cuboctahedra.
DOI: 10.17188/1189734
title: Materials Data on Rb2TbO3 by Materials Project

description: Rb2TbO3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.30 Å. Tb4+ is bonded to five O2- atoms to form distorted edge-sharing TbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.13–2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Tb4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Tb4+ atoms.
DOI: 10.17188/1189735
title: Materials Data on CsCd(PO3)3 by Materials Project

description: CsCd(PO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.63 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.35 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–42°. There are a spread of P–O bond distances ranging from 1.48–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Cd2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Cd2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Cd2+, and one P5+ atom.
DOI: 10.17188/1189736
title: Materials Data on Zr5Re24 by Materials Project

description: Zr5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Re atoms. All Zr–Zr bond lengths are 3.15 Å. All Zr–Re bond lengths are 3.07 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to one Zr and fifteen Re atoms. There are a spread of Zr–Re bond distances ranging from 2.80–3.25 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Zr and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.55–2.94 Å. In the second Re site, Re is bonded to four Zr and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReZr4Re8 cuboctahedra. There are one shorter (2.53 Å) and two longer (2.70 Å) Re–Re bond lengths.
DOI: 10.17188/1189737
title: Materials Data on AgAsS2 by Materials Project

description: AgAsS2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.64–3.37 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent As3+ atoms. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As tetrahedra.
DOI: 10.17188/1189738
title: Materials Data on K3GaO3 by Materials Project

description: K3GaO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.56–2.91 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.79 Å) and two longer (2.80 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.15 Å. Ga3+ is bonded to four O2- atoms to form edge-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1189739
title: Materials Data on Rb3GaO3 by Materials Project

description: Rb3GaO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.04 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.34 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.89 Å) and two longer (3.00 Å) Rb–O bond lengths. Ga3+ is bonded to four O2- atoms to form edge-sharing GaO4 tetrahedra. There is two shorter (1.86 Å) and two longer (1.96 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.
DOI: 10.17188/1189740
title: Materials Data on Cs3SiF7 by Materials Project

description: Cs3SiF7 crystallizes in the tetragonal P4/mbm 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 F1- atoms. There are a spread of Cs–F bond distances ranging from 3.07–3.25 Å. In the second Cs1+ site, Cs1+ is bonded to six F1- atoms to form CsF6 octahedra that share corners with four equivalent SiF6 octahedra and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 0–67°. There are two shorter (3.12 Å) and four longer (3.26 Å) Cs–F bond lengths. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with four equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 67°. There is two shorter (1.72 Å) and four longer (1.73 Å) Si–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Si4+ atom. In the second F1- site, F1- is bonded to six Cs1+ atoms to form corner-sharing FCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Si4+ atom.
DOI: 10.17188/1189741
title: Materials Data on SmP5O14 by Materials Project

description: SmP5O14 crystallizes in the monoclinic P2_1/c 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 2.37–2.51 Å. There are five 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 1.49–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.62 Å) P–O bond length. 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 1.48–1.58 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.64 Å) P–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. 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 distorted bent 150 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom.
DOI: 10.17188/1189742
title: Materials Data on BaNa(PO3)3 by Materials Project

description: BaNaP3O9 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.62 Å. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.08 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 two equivalent NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are a spread of P–O bond distances ranging from 1.49–1.66 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–61°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Ba2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ba2+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Ba2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ba2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ba2+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Ba2+, and one P5+ atom.
DOI: 10.14278/rodare.777
title: Salt Effects on Formation and Stability of Colloidal Gas Aphrons Produced by Anionic and Zwitterionic Surfactants in Xanthan Gum Solution

description: <strong> </strong>This work is devoted to the influence of NaCl salt concentration on the formation and stability of colloidal gas aphrons (CGA) produced by the anionic surfactant sodium dodecyl sulfate (SDS) and zwitterionic surfactant coco amido propyl betaine (CAPB) in the presence of xanthan gum (XG) as a stabilizer. Dynamic surface tension measurements as well as volume and half-life time of the produced foams are considered for stability analysis. A sharp decrease of the half-life time and volume of the CGAs at NaCl concentrations larger than 20,000 ppm was observed, which was attributed to the precipitation of SDS in the solution. The mentioned SDS precipitation altered the dynamic surface tension behavior, dilational surface elasticity, and turbidity of the solution. The main reason for the precipitation of SDS is the increased Krafft point caused by the addition of salt. However, for the zwitterionic surfactant CAPB, the effects of added NaCl on the interfacial properties required for CGAs production was negligible due to the simultaneous effects on the cationic and anionic head groups in the CAPB leading to negligible changes in the net repulsion forces. Yet, an overall reduction in the half-life time of CGAs with increasing salt concentration, even when we have no precipitation, was observed for both surfactants, which could be explained by the reduction in the ability of XG to increase the viscosity with increasing salt concentration.
DOI: 10.17188/1189743
title: Materials Data on Nd4Re2O11 by Materials Project

description: Nd4Re2O11 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.57 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.85 Å. Re5+ is bonded to six O2- atoms to form edge-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.91–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Nd3+ and two equivalent Re5+ atoms. In the second O2- site, O2- is bonded to three equivalent Nd3+ and one Re5+ atom to form a mixture of distorted edge and corner-sharing ONd3Re tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Re5+ atom. In the fourth O2- site, O2- is bonded to three Nd3+ and one Re5+ atom to form distorted ONd3Re tetrahedra that share corners with ten ONd3Re tetrahedra and edges with three ONd4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with eight equivalent ONd3Re tetrahedra and edges with six ONd4 tetrahedra. In the sixth O2- site, O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with eight equivalent ONd3Re tetrahedra and edges with six ONd4 tetrahedra. In the seventh O2- site, O2- is bonded to three Nd3+ and one Re5+ atom to form a mixture of distorted edge and corner-sharing ONd3Re tetrahedra.
DOI: 10.17188/1189744
title: Materials Data on Ce3Co11B4 by Materials Project

description: Ce3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.84 Å) and six longer (2.97 Å) Ce–Co bond lengths. All Ce–B bond lengths are 2.90 Å. In the second Ce site, Ce is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Ce–Co bond lengths are 2.90 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Co atoms. All Co–Co bond lengths are 2.49 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.
DOI: 10.17188/1189746
title: Materials Data on Sc2Cd3(GeO4)3 by Materials Project

description: Sc2Cd3(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. Cd2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.43 Å) and four longer (2.58 Å) Cd–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to one Sc3+, two equivalent Cd2+, and one Ge4+ atom.