cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722467
title: Materials Data on Sr3V3BiO12 by Materials Project

description: Sr3V3BiO12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–3.04 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–3.18 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.78 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.79 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.41–2.48 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Sr2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Sr2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+, one V5+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one V5+ atom.
DOI: 10.17188/1722468
title: Materials Data on Li7(CoO3)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: 10.5281/zenodo.4490484
title: The burden of post-translational modification (PTM) – disrupting mutations in the tumor matrisome

description: A Pan-cancer analysis of the post-translational modification (PTM) – disrupting mutations in the tumor matrisome
DOI: 10.17188/1722469
title: Materials Data on Li3Fe2CoO6 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: 10.5281/zenodo.4490483
title: The burden of post-translational modification (PTM) – disrupting mutations in the tumor matrisome

description: A Pan-cancer analysis of the post-translational modification (PTM) – disrupting mutations in the tumor matrisome
DOI: 10.17188/1722470
title: Materials Data on MnP4H16(NO8)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: 10.17188/1722471
title: Materials Data on La2ZnBi4 by Materials Project

description: La2ZnBi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both La–Zn bond lengths are 3.38 Å. There are four shorter (3.39 Å) and four longer (3.54 Å) La–Bi bond lengths. Zn is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Zn–Bi bond lengths are 2.82 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent La and two equivalent Zn atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.28 Å. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Bi atoms.
DOI: 10.17188/1722472
title: Materials Data on LiP3W2O13 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: 10.17188/1722473
title: Materials Data on Cd2Si5N8 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: 10.17188/1722475
title: Materials Data on Sm(PO3)3 by Materials Project

description: Sm(PO3)3 crystallizes in the orthorhombic C222_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 2.36–2.69 Å. There are two 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 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sm3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one Sm3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom.
DOI: 10.17188/1722476
title: Materials Data on LiP3(WO6)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: 10.17188/1722478
title: Materials Data on RbV2CrO7 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: 10.17188/1722479
title: Materials Data on SrCaMn(PO4)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: 10.17188/1722481
title: Materials Data on YSeBr by Materials Project

description: YSeBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- and six equivalent Br1- atoms to form a mixture of distorted corner and face-sharing YSe4Br6 tetrahedra. All Y–Se bond lengths are 3.03 Å. All Y–Br bond lengths are 3.50 Å. Se2- is bonded in a body-centered cubic geometry to four equivalent Y3+ and four equivalent Br1- atoms. All Se–Br bond lengths are 3.03 Å. Br1- is bonded in a 10-coordinate geometry to six equivalent Y3+ and four equivalent Se2- atoms.
DOI: 10.17188/1722482
title: Materials Data on Ag3SbS3 by Materials Project

description: Ag3SbS3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Ag3SbS3 sheets oriented in the (0, 1, 0) direction. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Sb3+ and two S2- atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Ag–Sb bond lengths. There are one shorter (2.52 Å) and one longer (2.85 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.52 Å) and two longer (2.58 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S2- atom. The Sb–S bond length is 2.93 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Ag1+ atoms to form a mixture of distorted corner and edge-sharing SAg5 trigonal bipyramids. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one S2- atom. The S–S bond length is 2.05 Å. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Ag1+, one Sb3+, and one S2- atom.
DOI: 10.17188/1722483
title: Materials Data on Li4Mo3O8 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: 10.17188/1722484
title: Materials Data on U2PS by Materials Project

description: U2PS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to three equivalent P and three equivalent S atoms to form a mixture of edge and corner-sharing UP3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–P bond lengths are 2.77 Å. All U–S bond lengths are 2.76 Å. P is bonded to six equivalent U atoms to form PU6 octahedra that share corners with six equivalent SU6 octahedra, edges with six equivalent PU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six equivalent U atoms to form SU6 octahedra that share corners with six equivalent PU6 octahedra, edges with six equivalent PU6 octahedra, and edges with six equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1722485
title: Materials Data on Mg2Mo3WS8 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: 10.17188/1722486
title: Materials Data on Sc2ZnHg by Materials Project

description: Sc2HgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Sc–Hg bond lengths are 2.99 Å. All Sc–Zn bond lengths are 2.99 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1722487
title: Materials Data on CaVF5 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: 10.17188/1722488
title: Materials Data on Mg2C3ClO15 by Materials Project

description: (Mg2(CO5)3)2Cl2 is Halite, Rock Salt structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six hydrochloric acid molecules and six Mg2(CO5)3 clusters. In each Mg2(CO5)3 cluster, Mg is bonded in an octahedral geometry to six O atoms. There are three shorter (2.03 Å) and three longer (2.16 Å) Mg–O bond lengths. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom.
DOI: 10.17188/1722489
title: Materials Data on MgU8Se17 by Materials Project

description: MgU8Se17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six Se2- atoms. There are two shorter (2.54 Å) and four longer (2.64 Å) Mg–Se bond lengths. There are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.89–3.04 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.84–2.95 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.79–3.11 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms. In the second Se2- site, Se2- is bonded to six U4+ atoms to form a mixture of face and corner-sharing SeU6 octahedra. In the third Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the fourth Se2- site, Se2- is bonded to one Mg2+ and three U4+ atoms to form distorted SeMgU3 tetrahedra that share a cornercorner with one SeU6 octahedra, corners with five equivalent SeMgU3 tetrahedra, a cornercorner with one SeMgU3 trigonal pyramid, edges with two equivalent SeMgU3 tetrahedra, and an edgeedge with one SeMgU3 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the sixth Se2- site, Se2- is bonded to one Mg2+ and three U4+ atoms to form distorted SeMgU3 trigonal pyramids that share corners with two equivalent SeMgU3 tetrahedra, a cornercorner with one SeMgU3 trigonal pyramid, edges with two equivalent SeMgU3 tetrahedra, and a faceface with one SeU6 octahedra. In the seventh Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.
DOI: 10.17188/1722490
title: Materials Data on ZrScTl2 by Materials Project

description: ScZrTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZrTl2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Tl atoms. Both Sc–Tl bond lengths are 2.93 Å. Zr is bonded in a linear geometry to two equivalent Tl atoms. Both Zr–Tl bond lengths are 2.95 Å. Tl is bonded in a linear geometry to one Sc and one Zr atom.
DOI: 10.17188/1722491
title: Materials Data on Cs2CeAgCl6 by Materials Project

description: Cs2CeAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent CeCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All Cs–Cl bond lengths are 3.91 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.75 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.77 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ce3+, and one Ag1+ atom.
DOI: 10.17188/1722492
title: Materials Data on Sm7Rh3 by Materials Project

description: Sm7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted trigonal non-coplanar geometry to three equivalent Rh atoms. All Sm–Rh bond lengths are 2.87 Å. In the second Sm site, Sm is bonded in a distorted water-like geometry to two equivalent Rh atoms. Both Sm–Rh bond lengths are 2.90 Å. In the third Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Rh atoms. There are one shorter (2.90 Å) and two longer (2.93 Å) Sm–Rh bond lengths. Rh is bonded in a 6-coordinate geometry to six Sm atoms.
DOI: 10.17188/1722494
title: Materials Data on ZnIn2O4 by Materials Project

description: ZnIn2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zn–O bond distances ranging from 2.12–2.58 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of In–O bond distances ranging from 2.13–2.38 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of In–O bond distances ranging from 2.13–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Zn2+ and three In3+ atoms. In the second O2- site, O2- is bonded to two equivalent Zn2+ and three equivalent In3+ atoms to form distorted OZn2In3 trigonal bipyramids that share corners with six equivalent OZnIn3 tetrahedra, an edgeedge with one OZnIn3 tetrahedra, and edges with four equivalent OZn2In3 trigonal bipyramids. In the third O2- site, O2- is bonded to one Zn2+ and three In3+ atoms to form OZnIn3 tetrahedra that share corners with two equivalent OZnIn3 tetrahedra, corners with six equivalent OZn2In3 trigonal bipyramids, and an edgeedge with one OZn2In3 trigonal bipyramid. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Zn2+ and three equivalent In3+ atoms.
DOI: 10.17188/1722495
title: Materials Data on CsC15 by Materials Project

description: CsC15 crystallizes in the orthorhombic Immm 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 twenty-two C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.61–3.72 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to eighteen C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.36–3.78 Å. There are nine inequivalent C+0.07- sites. In the first C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There are a spread of C–C bond distances ranging from 1.42–1.46 Å. In the third C+0.07- site, C+0.07- is bonded in a 4-coordinate geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.42 Å) and two longer (1.45 Å) C–C bond length. In the fourth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.07- atoms. The C–C bond length is 1.41 Å. In the fifth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and one longer (1.45 Å) C–C bond length. In the sixth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.44 Å) and one longer (1.46 Å) C–C bond length. In the seventh C+0.07- site, C+0.07- is bonded in a 3-coordinate geometry to one Cs1+ and three C+0.07- atoms. The C–C bond length is 1.45 Å. In the eighth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.41 Å) and one longer (1.46 Å) C–C bond length. In the ninth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms.
DOI: 10.17188/1722496
title: Materials Data on Li3V2(PO4)3 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.13684457
title: Additional file 4 of VirSorter2: a multi-classifier, expert-guided approach to detect diverse DNA and RNA viruses

description: Additional file 3. First 20 rows of the “final-viral-score.tsv” VirSorter2 output file for Tara Oceans virome 85_SRF. VirSorter 2.0.beta was used with default parameters, including all classifiers and a minimum score cutoff of 0.5. The columns include first the sequence name, the score for each of the 5 classifiers, the maximum score for this sequence, the group yielding this maximum score, the sequence length, the number of hallmark gene(s) for the maximum score group, and the percentage of viral and cellular genes.
DOI: 10.17188/1722497
title: Materials Data on K5Li2PrF10 by Materials Project

description: K5PrLi2F10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.06 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.69–3.13 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.59–2.77 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–1.89 Å. In the second Li1+ site, Li1+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–1.87 Å. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pr–F bond distances ranging from 2.37–2.47 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+, one Li1+, and one Pr3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Li1+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four K1+, one Li1+, and one Pr3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to four K1+, one Li1+, and one Pr3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Li1+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three K1+, one Li1+, and one Pr3+ atom. In the eighth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom.