cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1680494
title: Materials Data on Dy3Mg2WS8 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: 10.17188/1680495
title: Materials Data on Gd2MgSi2 by Materials Project

description: MgGd2Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.90 Å. Gd3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (2.98 Å) and four longer (3.05 Å) Gd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to two equivalent Mg2+, six equivalent Gd3+, and one Si4- atom. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1680496
title: Materials Data on CuN6(ClO4)3 by Materials Project

description: (CuN4)2N2(N(O4Cl)2)2(ClO4)2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of two ammonia molecules; two nsc1302 molecules; two ClO4 clusters; and one N(O4Cl)2 sheet oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the N(O4Cl)2 sheet, N+4.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.43 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one N+4.33+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.
DOI: 10.17188/1680497
title: Materials Data on Li3Co4SnO8 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: 10.17188/1680498
title: Materials Data on K6Bi6O19 by Materials Project

description: K6Bi6O19 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.79–3.11 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.69–3.29 Å. In the third K site, K is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of Bi–O bond distances ranging from 2.15–2.17 Å. In the second Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Bi–O bond distances ranging from 2.12–2.18 Å. In the third Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. In the fourth Bi site, Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent K and two Bi atoms. In the second O site, O is bonded in a 3-coordinate geometry to two K and two Bi atoms. In the third O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 trigonal pyramids. In the fourth O site, O is bonded to two K and two Bi atoms to form distorted corner-sharing OK2Bi2 tetrahedra. In the fifth O site, O is bonded in a 4-coordinate geometry to two K and two Bi atoms. In the sixth O site, O is bonded in a 6-coordinate geometry to six K atoms. In the seventh O site, O is bonded in a distorted water-like geometry to four K and two equivalent Bi atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Bi atoms. In the ninth O site, O is bonded in a 2-coordinate geometry to three K and two equivalent Bi atoms. In the tenth O site, O is bonded in a distorted water-like geometry to three K and two Bi atoms. In the eleventh O site, O is bonded in a 2-coordinate geometry to two K and two Bi atoms.
DOI: 10.17188/1680499
title: Materials Data on Dy(FeO2)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: 10.17188/1680500
title: Materials Data on KAlNiF6 by Materials Project

description: KNiAlF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. K1+ is bonded to six F1- atoms to form distorted KF6 octahedra that share corners with six equivalent NiF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 63–74°. There are a spread of K–F bond distances ranging from 2.82–3.34 Å. Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with two equivalent NiF6 octahedra, corners with four equivalent AlF6 octahedra, and corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 44–71°. There are two shorter (1.99 Å) and four longer (2.03 Å) Ni–F bond lengths. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with four equivalent NiF6 octahedra, and corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is four shorter (1.81 Å) and two longer (1.85 Å) Al–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one K1+ and two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent Ni2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one K1+, one Ni2+, and one Al3+ atom.
DOI: 10.17188/1680501
title: Materials Data on KB6(HO)6 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: 10.17188/1680503
title: Materials Data on La3FeSiS7 by Materials Project

description: La3FeSiS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La+2.67+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.11 Å. Fe2+ is bonded to six equivalent S2- atoms to form face-sharing FeS6 octahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) Fe–S bond lengths. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.10 Å) and three longer (2.14 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent La+2.67+ and one Si4+ atom to form distorted corner-sharing SLa3Si tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La+2.67+ and one Si4+ atom. In the third S2- site, S2- is bonded to four equivalent La+2.67+ and two equivalent Fe2+ atoms to form distorted SLa4Fe2 pentagonal pyramids that share corners with four equivalent SLa4Fe2 pentagonal pyramids, corners with four equivalent SLa3Si tetrahedra, and faces with six equivalent SLa4Fe2 pentagonal pyramids.
DOI: 10.17188/1680505
title: Materials Data on Li7V4O11F 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: 10.17188/1680506
title: Materials Data on LiRuN2 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: 10.17188/1680508
title: Materials Data on Li3CrO4 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: 10.17188/1680509
title: Materials Data on IrClOF6 by Materials Project

description: (IrF6)2O2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules, four oxygen molecules, and eight IrF6 clusters. In each IrF6 cluster, Ir is bonded in an octahedral geometry to six F atoms. There are a spread of Ir–F bond distances ranging from 1.88–1.90 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Ir atom. In the third F site, F is bonded in a single-bond geometry to one Ir atom. In the fourth F site, F is bonded in a single-bond geometry to one Ir atom. In the fifth F site, F is bonded in a single-bond geometry to one Ir atom. In the sixth F site, F is bonded in a single-bond geometry to one Ir atom.
DOI: 10.17188/1680510
title: Materials Data on TiNbN2 by Materials Project

description: TiNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with six equivalent NbN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ti–N bond lengths are 2.12 Å. Nb2+ is bonded to six equivalent N3- atoms to form NbN6 octahedra that share corners with six equivalent TiN6 octahedra, edges with six equivalent TiN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nb–N bond lengths are 2.24 Å. N3- is bonded to three equivalent Ti4+ and three equivalent Nb2+ atoms to form a mixture of edge and corner-sharing NTi3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1680511
title: Materials Data on Ba3CaNb2O9 by Materials Project

description: Ba3CaNb2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent CaO6 octahedra, and faces with six equivalent NbO6 octahedra. There are six shorter (2.95 Å) and six longer (3.00 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with three equivalent CaO6 octahedra, and faces with five equivalent NbO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.98–3.11 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. All Ca–O bond lengths are 2.29 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent CaO6 octahedra, corners with three equivalent NbO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are three shorter (1.94 Å) and three longer (2.14 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ca2+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1680512
title: Materials Data on CaAl2O12 by Materials Project

description: CaO7Al2O3O2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two hexaoxane molecules and one CaO7Al2O3 framework. In the CaO7Al2O3 framework, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.85 Å. Al is bonded to four O atoms to form a mixture of distorted corner and edge-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.80 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Al atoms. In the second O site, O is bonded in a 2-coordinate geometry to one Ca and two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to one Ca and one O atom. The O–O bond length is 1.26 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Ca and one Al atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ca and two equivalent O atoms. Both O–O bond lengths are 1.61 Å. In the sixth O site, O is bonded in a water-like geometry to two O atoms.
DOI: 10.17188/1680513
title: Materials Data on Fe3NF9 by Materials Project

description: (FeF3)6N2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional and consists of two ammonia molecules and one FeF3 framework. In the FeF3 framework, Fe+2.67+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There is two shorter (1.95 Å) and four longer (1.96 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe+2.67+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe+2.67+ atoms.
DOI: 10.17188/1680514
title: Materials Data on K2NaInI6 by Materials Project

description: K2NaInI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent I1- atoms to form KI12 cuboctahedra that share corners with twelve equivalent KI12 cuboctahedra, faces with six equivalent KI12 cuboctahedra, faces with four equivalent NaI6 octahedra, and faces with four equivalent InI6 octahedra. All K–I bond lengths are 4.29 Å. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–I bond lengths are 3.13 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent NaI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.94 Å. I1- is bonded in a linear geometry to four equivalent K1+, one Na1+, and one In3+ atom.
DOI: 10.17188/1680515
title: Materials Data on Re2BiO6 by Materials Project

description: BiRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.96–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1680516
title: Materials Data on Sc2InPt by Materials Project

description: Sc2PtIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PtIn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pt and one In atom. The Sc–Pt bond length is 2.40 Å. The Sc–In bond length is 2.93 Å. Pt is bonded in a linear geometry to two equivalent Sc atoms. In is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1680517
title: Materials Data on NaMo3NO10 by Materials Project

description: (NaMo3O10)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one NaMo3O10 framework. In the NaMo3O10 framework, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.72 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.34 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms.
DOI: 10.17188/1680519
title: Materials Data on Fe3TeO8 by Materials Project

description: Fe3TeO8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent TeO6 octahedra, an edgeedge with one TeO6 octahedra, and edges with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.91–2.07 Å. Te is bonded to six O atoms to form TeO6 octahedra that share corners with six equivalent FeO6 octahedra and edges with three equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is three shorter (1.95 Å) and three longer (1.98 Å) Te–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Fe and one Te atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Fe and one Te atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Fe atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Fe atoms.
DOI: 10.17188/1680520
title: Materials Data on BaCr2PO13 by Materials Project

description: BaCr2PO13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.25 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share a cornercorner with one PO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.84 Å) Cr–O bond length. In the second Cr site, Cr is bonded to four O atoms to form CrO4 tetrahedra that share a cornercorner with one PO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.83 Å) Cr–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two CrO4 tetrahedra. There is one shorter (1.51 Å) and three longer (1.57 Å) P–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.21 Å) and one longer (1.96 Å) O–O bond length. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the third O site, O is bonded in a single-bond geometry to one Ba, one P, and one O atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Cr and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Cr and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the seventh O site, O is bonded in a single-bond geometry to one Cr atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Ba and one Cr atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Ba and one Cr atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Ba atom.
DOI: 10.17188/1680521
title: Materials Data on Fe5O7F3 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: 10.17188/1680522
title: Materials Data on Sr2Ti2As2OF2 by Materials Project

description: Sr2Ti2As2OF2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Sr–As bond lengths are 3.33 Å. All Sr–F bond lengths are 2.49 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.72 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.