cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1701549
title: Materials Data on MnCuO4 by Materials Project

description: MnCuO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with two equivalent MnO6 octahedra. There is two shorter (1.87 Å) and four longer (1.94 Å) Mn–O bond length. Cu1+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There is two shorter (1.85 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn7+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn7+ and one Cu1+ atom.
DOI: 10.17188/1701550
title: Materials Data on Ca2SnS4 by Materials Project

description: Ca2SnS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are one shorter (2.54 Å) and three longer (2.94 Å) Ca–S bond lengths. In the second Ca2+ site, Ca2+ is bonded to six equivalent S2- atoms to form CaS6 octahedra that share corners with six equivalent SnS4 tetrahedra and faces with two equivalent CaS6 octahedra. There are three shorter (2.90 Å) and three longer (2.95 Å) Ca–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with six equivalent CaS6 octahedra. The corner-sharing octahedra tilt angles range from 16–68°. There are one shorter (2.26 Å) and three longer (2.44 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a linear geometry to one Ca2+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Sn4+ atom.
DOI: 10.17188/1701551
title: Materials Data on Sm3Mg2MnS8 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: 10.17188/1701552
title: Materials Data on Yb2Fe3Si5 by Materials Project

description: Yb2Fe3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Yb2+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Yb–Si bond distances ranging from 2.77–3.07 Å. There are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded to six Si+2.40- atoms to form a mixture of distorted face, edge, and corner-sharing FeSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Fe–Si bond distances ranging from 2.35–2.39 Å. In the second Fe+2.67+ site, Fe+2.67+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.36 Å) and two longer (2.62 Å) Fe–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to three equivalent Yb2+, four Fe+2.67+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Yb2+, three Fe+2.67+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.73 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent Yb2+ and four equivalent Fe+2.67+ atoms.
DOI: 10.17188/1701553
title: Materials Data on Li5V3P8O29 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: 10.17188/1701554
title: Materials Data on TePtPb by Materials Project

description: PtPbTe is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Pb4+ and three equivalent Te2- atoms to form PtTe3Pb3 octahedra that share corners with twelve equivalent PtTe3Pb3 octahedra, corners with three equivalent PbTePt3 trigonal pyramids, and corners with three equivalent TePt3Pb trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Pb bond lengths are 2.84 Å. All Pt–Te bond lengths are 2.73 Å. Pb4+ is bonded to three equivalent Pt2- and one Te2- atom to form distorted PbTePt3 trigonal pyramids that share corners with three equivalent PtTe3Pb3 octahedra, corners with six equivalent PbTePt3 trigonal pyramids, and corners with nine equivalent TePt3Pb trigonal pyramids. The corner-sharing octahedral tilt angles are 82°. The Pb–Te bond length is 3.04 Å. Te2- is bonded to three equivalent Pt2- and one Pb4+ atom to form TePt3Pb trigonal pyramids that share corners with three equivalent PtTe3Pb3 octahedra, corners with six equivalent TePt3Pb trigonal pyramids, and corners with nine equivalent PbTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.
DOI: 10.17188/1701557
title: Materials Data on InNi2Au by Materials Project

description: Ni2AuIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent In atoms. All Ni–Au bond lengths are 2.69 Å. All Ni–In bond lengths are 2.69 Å. Au is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent In atoms. All Au–In bond lengths are 3.11 Å. In is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Au atoms.
DOI: 10.17188/1701558
title: Materials Data on EuUO3 by Materials Project

description: EuUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of U–O bond distances ranging from 2.23–2.28 Å. Eu2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.44–3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent U4+ and three equivalent Eu2+ atoms. In the second O2- site, O2- is bonded to two equivalent U4+ and two equivalent Eu2+ atoms to form distorted corner-sharing OEu2U2 tetrahedra.
DOI: 10.17188/1701559
title: Materials Data on Nb3ZnAu by Materials Project

description: Nb3AuZn crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to six equivalent Nb, three equivalent Au, and three equivalent Zn atoms. There are four shorter (2.94 Å) and two longer (2.98 Å) Nb–Nb bond lengths. There are a spread of Nb–Au bond distances ranging from 2.89–2.96 Å. There are a spread of Nb–Zn bond distances ranging from 2.81–3.01 Å. Au is bonded to nine equivalent Nb and three equivalent Zn atoms to form a mixture of distorted corner and face-sharing AuNb9Zn3 cuboctahedra. All Au–Zn bond lengths are 2.63 Å. Zn is bonded in a 3-coordinate geometry to nine equivalent Nb and three equivalent Au atoms.
DOI: 10.17188/1701560
title: Materials Data on CeUN2 by Materials Project

description: UCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U3+ is bonded to six N3- atoms to form UN6 octahedra that share corners with six equivalent UN6 octahedra, edges with four equivalent UN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–N bond lengths are 2.47 Å. Ce3+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–N bond lengths are 2.47 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent U3+ and four equivalent Ce3+ atoms to form a mixture of edge and corner-sharing NCe4U2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent U3+ and two equivalent Ce3+ atoms to form NCe2U4 octahedra that share corners with six equivalent NCe2U4 octahedra and edges with twelve NCe4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1701561
title: Materials Data on Li3Ni5O8 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: 10.17188/1701562
title: Materials Data on Rb2GaAuF6 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: 10.17188/1701563
title: Materials Data on Fe2OF3 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: 10.17188/1701564
title: Materials Data on Li2Mn(SiO3)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: 10.17188/1701565
title: Materials Data on CSN2 by Materials Project

description: CN2S crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. C4+ is bonded in a distorted trigonal planar geometry to two equivalent N1- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.82 Å. N1- is bonded in a 2-coordinate geometry to one C4+ and two equivalent S2- atoms. There are one shorter (1.75 Å) and one longer (2.77 Å) N–S bond lengths. S2- is bonded in a 5-coordinate geometry to one C4+ and four equivalent N1- atoms.
DOI: 10.17188/1701566
title: Materials Data on MnFe2(PO9)2 by Materials Project

description: MnFe2(PO9)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with two equivalent PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.88–1.91 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Fe–O bond distances ranging from 1.91–2.02 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Fe–O bond distances ranging from 1.81–2.42 Å. P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–53°. There is one shorter (1.52 Å) and three longer (1.56 Å) P–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Fe atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Fe and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mn atom. In the eighth O site, O is bonded in a single-bond geometry to one Mn atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1701567
title: Materials Data on Dy3Ga2 by Materials Project

description: Dy3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.92–3.71 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.01–3.53 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.97–3.32 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Dy atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Dy atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Dy and one Ga atom. The Ga–Ga bond length is 2.80 Å.
DOI: 10.17188/1701568
title: Materials Data on BaIn3Pt by Materials Project

description: BaPtIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to four equivalent Pt and twelve In atoms. All Ba–Pt bond lengths are 3.78 Å. There are a spread of Ba–In bond distances ranging from 3.65–3.87 Å. Pt is bonded in a 5-coordinate geometry to four equivalent Ba and five In atoms. There are one shorter (2.67 Å) and four longer (2.76 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted bent 120 degrees geometry to four equivalent Ba and two equivalent Pt atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Ba and one Pt atom.
DOI: 10.17188/1701569
title: Materials Data on Ba2TmPaO6 by Materials Project

description: Ba2PaTmO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent PaO6 octahedra, and faces with four equivalent TmO6 octahedra. All Ba–O bond lengths are 3.11 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.18 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–O bond lengths are 2.22 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Pa5+, and one Tm3+ atom.
DOI: 10.17188/1701570
title: Materials Data on Tm2(NiB2)3 by Materials Project

description: Tm2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm3+ is bonded in a 12-coordinate geometry to twelve B2- atoms. There are a spread of Tm–B bond distances ranging from 2.72–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.22 Å. In the second Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.12 Å) and four longer (2.16 Å) Ni–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, three Ni2+, and two B2- atoms. There is one shorter (1.73 Å) and one longer (1.75 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Ni2+, and three B2- atoms. The B–B bond length is 1.73 Å.
DOI: 10.17188/1701571
title: Materials Data on Er2TiO5 by Materials Project

description: Er2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.16–2.51 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Er3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OEr2Ti2 trigonal pyramids.
DOI: 10.17188/1701572
title: Materials Data on La2CuO4 by Materials Project

description: La2CuO4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.92 Å. Cu2+ is bonded to six O2- atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.91 Å) and two longer (2.45 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OLa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one Cu2+ atom.
DOI: 10.17188/1701573
title: Materials Data on Pr2FeSi2Ru by Materials Project

description: Pr2RuFeSi2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to two equivalent Ru, two equivalent Fe, and five equivalent Si atoms. Both Pr–Ru bond lengths are 3.06 Å. Both Pr–Fe bond lengths are 3.06 Å. There are four shorter (3.13 Å) and one longer (3.63 Å) Pr–Si bond lengths. Ru is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Fe, and four equivalent Si atoms. All Ru–Fe bond lengths are 2.94 Å. All Ru–Si bond lengths are 2.39 Å. Fe is bonded to four equivalent Pr, four equivalent Ru, and four equivalent Si atoms to form a mixture of distorted face and corner-sharing FePr4Si4Ru4 cuboctahedra. All Fe–Si bond lengths are 2.39 Å. Si is bonded in a 2-coordinate geometry to five equivalent Pr, two equivalent Ru, and two equivalent Fe atoms.
DOI: 10.15129/19636abd-1ffc-44d2-94ef-c8997641b4cd
title: Supplementary material for: "Particle accumulation structures in a 5 cSt silicone oil liquid bridge: New data for the preparation of theJEREMI Experiment"

description: Simulation datasets obtained with the aid of the open source CFD package OpenFOAM. The folder contain all the results for the particle accumulation patterns shown in Figures 3-7 reported in the related manuscript.
DOI: 10.17188/1701574
title: Materials Data on NaLi2AlF6 by Materials Project

description: NaLi2AlF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.15 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent AlF6 octahedra. All Li–F bond lengths are 2.81 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.81 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Al3+ atom.
DOI: 10.17188/1701575
title: Materials Data on Sr3MgO4 by Materials Project

description: Sr3MgO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent MgO6 octahedra, and edges with eight SrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Sr–O bond distances ranging from 2.44–2.56 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent MgO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with ten SrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are two shorter (2.54 Å) and four longer (2.67 Å) Sr–O bond lengths. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent SrO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with ten SrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are four shorter (2.34 Å) and two longer (2.54 Å) Mg–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Sr2+ atoms to form a mixture of corner and edge-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to four Sr2+ and two equivalent Mg2+ atoms to form OSr4Mg2 octahedra that share corners with six equivalent OSr4Mg2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mg2+ atoms to form a mixture of corner and edge-sharing OSr4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.