cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1275544
title: Materials Data on CaAlSi by Materials Project

description: CaAlSi crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded to six Al and six Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. There are three shorter (3.16 Å) and three longer (3.23 Å) Ca–Al bond lengths. There are three shorter (3.26 Å) and three longer (3.38 Å) Ca–Si bond lengths. In the second Ca site, Ca is bonded to six Al and six Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. There are three shorter (3.16 Å) and three longer (3.26 Å) Ca–Al bond lengths. There are three shorter (3.24 Å) and three longer (3.39 Å) Ca–Si bond lengths. In the third Ca site, Ca is bonded to six Al and six Si atoms to form a mixture of distorted edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.40 Å. All Ca–Si bond lengths are 3.18 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to six Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.45 Å. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to six Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.45 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to six Ca and three equivalent Al atoms. In the second Si site, Si is bonded in a 3-coordinate geometry to six Ca and three equivalent Al atoms. In the third Si site, Si is bonded in a 3-coordinate geometry to six Ca and three equivalent Al atoms.
DOI: 10.17188/1275545
title: Materials Data on Co2(SnSe)3 by Materials Project

description: Co2(SnSe)3 is Hausmannite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three Sn and three Se atoms to form CoSn3Se3 octahedra that share corners with six CoSn3Se3 octahedra, corners with four equivalent SnCo2Se2 tetrahedra, and corners with four equivalent SeCo2Sn2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Co–Sn bond distances ranging from 2.51–2.54 Å. There are one shorter (2.39 Å) and two longer (2.42 Å) Co–Se bond lengths. In the second Co site, Co is bonded to three equivalent Sn and three equivalent Se atoms to form corner-sharing CoSn3Se3 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. All Co–Sn bond lengths are 2.52 Å. All Co–Se bond lengths are 2.40 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to two Co and two equivalent Se atoms to form distorted SnCo2Se2 tetrahedra that share corners with four equivalent CoSn3Se3 octahedra, corners with two equivalent SnCo2Se2 tetrahedra, corners with four equivalent SeCo2Sn2 tetrahedra, and an edgeedge with one SnCo2Se2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–74°. There are one shorter (2.75 Å) and one longer (2.94 Å) Sn–Se bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Se atoms. There are one shorter (2.76 Å) and one longer (2.93 Å) Sn–Se bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Sn atoms. In the second Se site, Se is bonded to two Co and two equivalent Sn atoms to form distorted SeCo2Sn2 tetrahedra that share corners with four equivalent CoSn3Se3 octahedra, corners with two equivalent SeCo2Sn2 tetrahedra, corners with four equivalent SnCo2Se2 tetrahedra, and an edgeedge with one SeCo2Sn2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–75°.
DOI: 10.17188/1275546
title: Materials Data on Mg44Rh7 by Materials Project

description: Mg44Rh7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are eleven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two Rh atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.66 Å) and one longer (2.93 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to ten Mg and two equivalent Rh atoms. There are a spread of Mg–Mg bond distances ranging from 2.90–3.38 Å. Both Mg–Rh bond lengths are 3.18 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to twelve Mg atoms. There are six shorter (3.07 Å) and three longer (3.52 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Mg–Rh bond lengths are 2.82 Å. In the fifth Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Rh atoms. Both Mg–Rh bond lengths are 3.10 Å. In the sixth Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mg and three equivalent Rh atoms. All Mg–Rh bond lengths are 2.87 Å. In the seventh Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Rh atom. The Mg–Rh bond length is 2.82 Å. In the eighth Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Rh atoms. All Mg–Rh bond lengths are 2.87 Å. In the ninth Mg site, Mg is bonded in a 2-coordinate geometry to two Rh atoms. There are one shorter (2.76 Å) and one longer (2.97 Å) Mg–Rh bond lengths. In the tenth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two Rh atoms. Both Mg–Rh bond lengths are 2.97 Å. In the eleventh Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Mg and three equivalent Rh atoms. All Mg–Rh bond lengths are 2.69 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Mg atoms to form a mixture of distorted face and corner-sharing RhMg12 cuboctahedra. In the second Rh site, Rh is bonded to twelve Mg atoms to form a mixture of face and corner-sharing RhMg12 cuboctahedra. In the third Rh site, Rh is bonded to twelve Mg atoms to form corner-sharing RhMg12 cuboctahedra.
DOI: 10.17188/1275547
title: Materials Data on PtN2 by Materials Project

description: PtN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent N3- atoms to form PtN6 octahedra that share corners with eight equivalent PtN6 octahedra, corners with six equivalent NPt3N tetrahedra, and edges with two equivalent PtN6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.12 Å) Pt–N bond lengths. N3- is bonded to three equivalent Pt6+ and one N3- atom to form NPt3N tetrahedra that share corners with three equivalent PtN6 octahedra, corners with thirteen equivalent NPt3N tetrahedra, and an edgeedge with one NPt3N tetrahedra. The corner-sharing octahedra tilt angles range from 67–69°. The N–N bond length is 1.40 Å.
DOI: 10.17188/1275548
title: Materials Data on Zr3Al3C5 by Materials Project

description: Zr3Al3C5 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two AlC sheets oriented in the (0, 0, 1) direction and two Zr3(AlC2)2 sheets oriented in the (0, 0, 1) direction. In each AlC sheet, Al3+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Al–C bond lengths are 1.91 Å. C4- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms. In each Zr3(AlC2)2 sheet, there are two inequivalent Zr+3.67+ sites. In the first Zr+3.67+ site, Zr+3.67+ is bonded to six equivalent C4- atoms to form a mixture of corner and edge-sharing ZrC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Zr–C bond lengths are 2.37 Å. In the second Zr+3.67+ site, Zr+3.67+ is bonded to six C4- atoms to form a mixture of corner and edge-sharing ZrC6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.29 Å) and three longer (2.59 Å) Zr–C bond lengths. Al3+ is bonded in a trigonal non-coplanar geometry to three equivalent C4- atoms. All Al–C bond lengths are 2.09 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 3-coordinate geometry to three equivalent Zr+3.67+ and three equivalent Al3+ atoms. In the second C4- site, C4- is bonded to six Zr+3.67+ atoms to form a mixture of corner and edge-sharing CZr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1275549
title: Materials Data on KRb3CdCl6 by Materials Project

description: Rb3KCdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.38–3.53 Å. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.14 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.69 Å. Cl1- is bonded to four equivalent Rb1+, one K1+, and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClKRb4Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.
DOI: 10.17188/1275550
title: Materials Data on Tm4Mn4Sn7 by Materials Project

description: Tm4Mn4Sn7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to seven Sn atoms to form a mixture of distorted edge, corner, and face-sharing TmSn7 pentagonal bipyramids. There are a spread of Tm–Sn bond distances ranging from 3.05–3.24 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.04–3.33 Å. Mn is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.83 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to five Tm and four equivalent Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Tm and four equivalent Mn atoms. In the third Sn site, Sn is bonded in a 10-coordinate geometry to eight Tm and two equivalent Sn atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to one Tm, four equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.90 Å.
DOI: 10.17188/1275551
title: Materials Data on YbTl3 by Materials Project

description: YbTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Tl atoms to form YbTl12 cuboctahedra that share corners with twelve equivalent YbTl12 cuboctahedra, edges with twenty-four equivalent TlYb4Tl8 cuboctahedra, faces with six equivalent YbTl12 cuboctahedra, and faces with twelve equivalent TlYb4Tl8 cuboctahedra. All Yb–Tl bond lengths are 3.44 Å. Tl is bonded to four equivalent Yb and eight equivalent Tl atoms to form distorted TlYb4Tl8 cuboctahedra that share corners with twelve equivalent TlYb4Tl8 cuboctahedra, edges with eight equivalent YbTl12 cuboctahedra, edges with sixteen equivalent TlYb4Tl8 cuboctahedra, faces with four equivalent YbTl12 cuboctahedra, and faces with fourteen equivalent TlYb4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.44 Å.
DOI: 10.17188/1275552
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of nine CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1275553
title: Materials Data on Zr6Si7Ni16 by Materials Project

description: Zr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.91 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.34 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.53 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Zr2+ and eight Ni1+ atoms to form a mixture of corner and face-sharing SiZr4Ni8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms.
DOI: 10.17188/1275554
title: Materials Data on Rb3SnP3Se11 by Materials Project

description: Rb3Sn(PSe5)(P2Se6) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.58–3.96 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–4.03 Å. In the third Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.67–4.18 Å. Sn4+ is bonded to six Se2- atoms to form SnSe6 octahedra that share a cornercorner with one PSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.70–2.83 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.16–2.25 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.16–2.26 Å. In the third P5+ site, P5+ is bonded to four Se2- atoms to form PSe4 tetrahedra that share a cornercorner with one SnSe6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are a spread of P–Se bond distances ranging from 2.17–2.32 Å. There are eleven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two Rb1+, one Sn4+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Rb1+, one Sn4+, and one Se2- atom. The Se–Se bond length is 2.36 Å. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Sn4+, and one P5+ atom. In the fifth Se2- site, Se2- is bonded in a 2-coordinate geometry to three Rb1+, one Sn4+, and one P5+ atom. In the sixth Se2- site, Se2- is bonded in a distorted single-bond geometry to one Rb1+, one P5+, and one Se2- atom. In the seventh Se2- site, Se2- is bonded in a distorted single-bond geometry to one Rb1+ and one P5+ atom. In the eighth Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one P5+ atom. In the ninth Se2- site, Se2- is bonded in a 1-coordinate geometry to three Rb1+, one Sn4+, and one P5+ atom. In the tenth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one P5+ atom. In the eleventh Se2- site, Se2- is bonded in a 2-coordinate geometry to three Rb1+, one Sn4+, and one P5+ atom.
DOI: 10.17188/1275555
title: Materials Data on Rb2ZnBr4 by Materials Project

description: Rb2ZnBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–4.12 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–4.02 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Zn–Br bond distances ranging from 2.42–2.44 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to four Rb1+ and one Zn2+ atom.
DOI: 10.17188/1275559
title: Materials Data on Mo15Se19 by Materials Project

description: Mo15Se19 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are three inequivalent Mo+2.53+ sites. In the first Mo+2.53+ site, Mo+2.53+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.72 Å. In the second Mo+2.53+ site, Mo+2.53+ is bonded in a see-saw-like geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.56–2.61 Å. In the third Mo+2.53+ site, Mo+2.53+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.65 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to three equivalent Mo+2.53+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.53+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Mo+2.53+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.53+ atoms. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.53+ atoms.
DOI: 10.17188/1275560
title: Materials Data on HgIBr by Materials Project

description: HgBrI crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBrI sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form distorted edge-sharing HgI3Br3 octahedra. There are one shorter (2.64 Å) and two longer (3.58 Å) Hg–I bond lengths. There are one shorter (2.49 Å) and two longer (3.63 Å) Hg–Br bond lengths. I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. Br1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.
DOI: 10.17188/1275561
title: Materials Data on K2SnCl6 by Materials Project

description: K2SnCl6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent SnCl6 octahedra. There are a spread of K–Cl bond distances ranging from 3.49–3.72 Å. Sn4+ is bonded to six Cl1- atoms to form SnCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. There are two shorter (2.46 Å) and four longer (2.47 Å) Sn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Sn4+ atom.
DOI: 10.17188/1275562
title: Materials Data on Ce5Si3 by Materials Project

description: Ce5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.11 Å. In the second Ce site, Ce is bonded to six Si atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.13 Å) and two longer (3.24 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.52 Å.
DOI: 10.17188/1275563
title: Materials Data on TbAu2 by Materials Project

description: TbAu2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are two shorter (3.05 Å) and eight longer (3.06 Å) Tb–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Tb atoms.
DOI: 10.17188/1275564
title: Materials Data on YbPt by Materials Project

description: YbPt crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to seven equivalent Pt2- atoms. There are a spread of Yb–Pt bond distances ranging from 2.92–3.02 Å. Pt2- is bonded in a 7-coordinate geometry to seven equivalent Yb2+ atoms.
DOI: 10.17188/1275565
title: Materials Data on Np3Se4 by Materials Project

description: Np3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Np is bonded to eight equivalent Se atoms to form a mixture of distorted edge, face, and corner-sharing NpSe8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (2.97 Å) Np–Se bond lengths. Se is bonded to six equivalent Np atoms to form a mixture of distorted edge, face, and corner-sharing SeNp6 octahedra. The corner-sharing octahedra tilt angles range from 16–50°.