cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1270541
title: Materials Data on Y3Si2ClO8 by Materials Project

description: Y3Si2O8Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Y–O bond distances ranging from 2.23–2.69 Å. The Y–Cl bond length is 2.95 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.55 Å. There are one shorter (2.80 Å) and one longer (2.92 Å) Y–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ and one Si4+ atom. Cl1- is bonded in a 4-coordinate geometry to four Y3+ atoms.
DOI: 10.17188/1270542
title: Materials Data on K2Ce(NO3)6 by Materials Project

description: K2Ce(NO3)6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.33 Å. There are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.53–2.58 Å. In the second Ce4+ site, Ce4+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are six shorter (2.56 Å) and six longer (2.58 Å) Ce–O bond lengths. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce4+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce4+, and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ce4+, and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce4+, and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N5+ atom.
DOI: 10.17188/1270543
title: Materials Data on PS2N3Cl2(OF)2 by Materials Project

description: PCl2N3S2(OF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphonous dichloride molecules and four N3S2(OF)2 clusters. In each N3S2(OF)2 cluster, there are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the second N+2.33+ site, N+2.33+ is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.54 Å. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two N+2.33+, one O2-, and one F1- atom to form corner-sharing SN2OF tetrahedra. The S–O bond length is 1.42 Å. The S–F bond length is 1.61 Å. In the second S2- site, S2- is bonded to two N+2.33+, one O2-, and one F1- atom to form corner-sharing SN2OF tetrahedra. The S–O bond length is 1.42 Å. The S–F bond length is 1.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, 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: 10.17188/1270544
title: Materials Data on BaLi(B3O5)3 by Materials Project

description: LiBaB9O15 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.94 Å. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share edges with six equivalent BO4 tetrahedra. There are six shorter (2.95 Å) and six longer (3.13 Å) Ba–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share edges with two equivalent BaO12 cuboctahedra. There is two shorter (1.47 Å) and two longer (1.49 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.41 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent B3+ atoms.
DOI: 10.17188/1270545
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1270546
title: Materials Data on SbCSF11 by Materials Project

description: CF3SbF6SF2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight fluoroform molecules, eight sulfur difluoride molecules, and eight SbF6 clusters. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.97 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1270547
title: Materials Data on Ba4Ti2PtO10 by Materials Project

description: Ba4Ti2PtO10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.10 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.45 Å. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and a faceface with one PtO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Ti–O bond distances ranging from 1.80–2.38 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share faces with two equivalent TiO6 octahedra. There are four shorter (2.05 Å) and two longer (2.07 Å) Pt–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to four Ba2+, one Ti4+, and one Pt4+ atom to form a mixture of distorted edge and corner-sharing OBa4TiPt octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Ti4+, and one Pt4+ atom.
DOI: 10.17188/1270548
title: Materials Data on Cs2KVF6 by Materials Project

description: Cs2KVF6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent VF6 octahedra. There are a spread of Cs–F bond distances ranging from 3.27–3.29 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent VF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.62 Å. V3+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 1.99 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one V3+ atom.
DOI: 10.17188/1270549
title: Materials Data on Yb3(SF2)2 by Materials Project

description: Yb3F4S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb+2.67+ sites. In the first Yb+2.67+ site, Yb+2.67+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.75 Å) and four longer (3.09 Å) Yb–S bond lengths. All Yb–F bond lengths are 2.30 Å. In the second Yb+2.67+ site, Yb+2.67+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Yb–F bond lengths are 2.32 Å. S2- is bonded in a 1-coordinate geometry to five equivalent Yb+2.67+ atoms. F1- is bonded to four Yb+2.67+ atoms to form a mixture of corner and edge-sharing FYb4 tetrahedra.
DOI: 10.17188/1270550
title: Materials Data on Sr(MnP)2 by Materials Project

description: SrMn2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent P3- atoms to form distorted SrP6 octahedra that share corners with twelve equivalent MnP4 tetrahedra, edges with six equivalent SrP6 octahedra, and edges with six equivalent MnP4 tetrahedra. All Sr–P bond lengths are 3.06 Å. Mn2+ is bonded to four equivalent P3- atoms to form MnP4 tetrahedra that share corners with six equivalent SrP6 octahedra, corners with six equivalent MnP4 tetrahedra, edges with three equivalent SrP6 octahedra, and edges with three equivalent MnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are one shorter (2.27 Å) and three longer (2.32 Å) Mn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1270551
title: Materials Data on LiMnGaF6 (SG:150) 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: 10.17188/1270552
title: Materials Data on CsCu(BiS2)2 by Materials Project

description: CsBi2CuS4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.47–3.77 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two BiS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with four BiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Cu–S bond distances ranging from 2.28–2.72 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six S2- atoms to form BiS6 octahedra that share corners with three equivalent BiS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five BiS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–25°. There are a spread of Bi–S bond distances ranging from 2.67–3.12 Å. In the second Bi3+ site, Bi3+ is bonded to six S2- atoms to form distorted BiS6 octahedra that share corners with three equivalent BiS6 octahedra, a cornercorner with one CuS4 tetrahedra, edges with five BiS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 3–25°. There are a spread of Bi–S bond distances ranging from 2.67–3.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to one Cs1+ and four Bi3+ atoms to form distorted SCsBi4 square pyramids that share corners with eight SCs2CuBi3 octahedra, edges with four SCs2CuBi3 octahedra, and edges with two equivalent SCsBi4 square pyramids. The corner-sharing octahedra tilt angles range from 2–81°. In the second S2- site, S2- is bonded to two equivalent Cs1+, one Cu1+, and three Bi3+ atoms to form distorted SCs2CuBi3 octahedra that share corners with two equivalent SCs2CuBi3 octahedra, corners with six equivalent SCsBi4 square pyramids, edges with four SCs2CuBi3 octahedra, an edgeedge with one SCsBi4 square pyramid, and a faceface with one SCs2CuBi3 octahedra. The corner-sharing octahedral tilt angles are 68°. In the third S2- site, S2- is bonded to two equivalent Cs1+, one Cu1+, and three Bi3+ atoms to form distorted SCs2CuBi3 octahedra that share corners with two equivalent SCs2CuBi3 octahedra, corners with two equivalent SCsBi4 square pyramids, edges with four SCs2CuBi3 octahedra, edges with three equivalent SCsBi4 square pyramids, and a faceface with one SCs2CuBi3 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Cu1+, and two Bi3+ atoms.
DOI: 10.17632/m6ptdcm6by.1
title: LINF_080006200

description: hypothetical protein - conserved; Leishmania infantum
DOI: 10.17188/1270553
title: Materials Data on Li2U3(PO5)4 by Materials Project

description: Li2U3(PO5)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 square pyramids that share corners with three PO4 tetrahedra and an edgeedge with one UO6 octahedra. There are a spread of Li–O bond distances ranging from 1.93–2.45 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.63 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent LiO5 square pyramids. There are two shorter (1.82 Å) and four longer (2.31 Å) U–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one LiO5 square pyramid and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent LiO5 square pyramids, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–45°. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one U6+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Li1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one U6+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one U6+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1270554
title: Materials Data on Cs2Co3S4 by Materials Project

description: Cs2Co3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Cs–S bond distances ranging from 3.55–3.59 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.22 Å) Co–S bond lengths. In the second Co2+ site, Co2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.20 Å. S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Co2+ atoms.
DOI: 10.17632/8xh7tng7y2.1
title: Dzhalginsky merino

description: A study of the reproductive function of Dzalginski rams breeding and non - breeding season. 1. Quantitative and qualitative semen parameters (september – december, 2019; january – august, 2020). 2. A set of seasonal parameters of the Ipatovsky district of the Russian Federation (september – december, 2019; january – august, 2020).
DOI: 10.17188/1270555
title: Materials Data on NaNbO3 by Materials Project

description: NaNbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.86 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.72 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. There are a spread of Nb–O bond distances ranging from 1.91–2.16 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 12–31°. There are a spread of Nb–O bond distances ranging from 1.91–2.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+ and two Nb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1270556
title: Materials Data on Na5Ga3F14 by Materials Project

description: Na5Ga3F14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.93 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.27–2.81 Å. In the third Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.50–2.88 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Ga–F bond distances ranging from 1.90–1.96 Å. In the second Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of Ga–F bond distances ranging from 1.88–1.93 Å. In the third Ga3+ site, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ga–F bond distances ranging from 1.90–1.97 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two Ga3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Ga3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Ga3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Na1+ and two Ga3+ atoms. In the fifth F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Ga3+ atom. In the sixth F1- site, F1- is bonded to three Na1+ and one Ga3+ atom to form distorted corner-sharing FNa3Ga tetrahedra. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to three Na1+ and one Ga3+ atom.
DOI: 10.17632/sr9kmhdgc5.1
title: LINF_080007000

description: inositol phosphosphingolipid phospholipase C-Like | ISCL; Leishmania infantum
DOI: 10.17188/1270557
title: Materials Data on SrFeF5 (SG:14) 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: 10.17188/1270558
title: Materials Data on KrF2 by Materials Project

description: KrF2 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of two KrF2 clusters. Kr is bonded in a linear geometry to two equivalent F atoms. Both Kr–F bond lengths are 1.94 Å. F is bonded in a single-bond geometry to one Kr atom.