cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1656142
title: Materials Data on Fe2O3F 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: 10.17188/1656143
title: Materials Data on Pr2H16S3O20 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: 10.17188/1656144
title: Materials Data on CrO3 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: 10.17188/1656145
title: Materials Data on KAl4(SiO6)2 by Materials Project

description: KAl4(SiO6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded to six O atoms to form KO6 octahedra that share corners with six equivalent AlO4 tetrahedra and corners with six equivalent SiO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.90–3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent KO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 70–75°. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.80–2.08 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent KO6 octahedra and corners with three equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 66–71°. There is three shorter (1.62 Å) and one longer (1.72 Å) Si–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Al atoms. In the second O site, O is bonded in a 2-coordinate geometry to one K, one Al, and one Si atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Al, and one Si atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one Al, and one Si atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.39 Å. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Al and one Si atom.
DOI: 10.17188/1656146
title: Materials Data on FeCl6 by Materials Project

description: FeCl4Cl2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two tetrachloroiron molecules.
DOI: 10.17188/1656147
title: Materials Data on LiAlS2 by Materials Project

description: LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent AlS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.45–2.48 Å. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent Al3+ atoms to form corner-sharing SLi2Al2 tetrahedra.
DOI: 10.17188/1656148
title: Materials Data on Na3Ni5O8 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: 10.17188/1656149
title: Materials Data on Li10Fe5Co3O16 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: 10.17188/1656150
title: Materials Data on Ba2AlGa3 by Materials Project

description: Ba2Ga3Al crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.33–3.74 Å. There are one shorter (3.44 Å) and two longer (3.73 Å) Ba–Al bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to nine Ga and three equivalent Al atoms. There are a spread of Ba–Ga bond distances ranging from 3.32–3.74 Å. There are two shorter (3.34 Å) and one longer (3.49 Å) Ba–Al bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, three Ga, and one Al atom. All Ga–Ga bond lengths are 2.86 Å. The Ga–Al bond length is 2.79 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, two Ga, and two equivalent Al atoms. The Ga–Ga bond length is 2.82 Å. Both Ga–Al bond lengths are 2.85 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ba, three Ga, and one Al atom. The Ga–Al bond length is 2.84 Å. Al is bonded in a 10-coordinate geometry to six Ba and four Ga atoms.
DOI: 10.17188/1656151
title: Materials Data on TlHg2Pb by Materials Project

description: Hg2TlPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2TlPb ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to one Tl and one Pb atom. The Hg–Tl bond length is 3.09 Å. The Hg–Pb bond length is 2.95 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms. Pb is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1656154
title: Materials Data on Ti2BeRe by Materials Project

description: BeTi2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeTi2Re ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ti atoms. Both Be–Ti bond lengths are 2.60 Å. Ti is bonded in a linear geometry to one Be and one Re atom. The Ti–Re bond length is 2.17 Å. Re is bonded in a linear geometry to two equivalent Ti atoms.
DOI: 10.17188/1656155
title: Materials Data on TcSnO3 by Materials Project

description: TcSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tc2+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.99 Å. Sn4+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share corners with twelve equivalent SnO12 cuboctahedra, faces with six equivalent SnO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Sn–O bond lengths are 2.82 Å. O2- is bonded in a linear geometry to two equivalent Tc2+ and four equivalent Sn4+ atoms.
DOI: 10.17188/1656156
title: Materials Data on TmNiAs by Materials Project

description: TmNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 2.90 Å. All Tm–As bond lengths are 3.05 Å. In the second Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 3.11 Å. All Tm–As bond lengths are 2.96 Å. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Tm and three equivalent Ni atoms.
DOI: 10.17188/1656158
title: Materials Data on PrIn5Ir by Materials Project

description: PrIrIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with four equivalent PrIn12 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.34 Å) Pr–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. All In–In bond lengths are 3.31 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Ir, and two equivalent In atoms.
DOI: 10.17188/1656159
title: Materials Data on BC2N by Materials Project

description: BC2N crystallizes in the monoclinic C2 space group. The structure is three-dimensional. B3+ is bonded in a 3-coordinate geometry to two C and one N3- atom. There is one shorter (1.59 Å) and one longer (1.82 Å) B–C bond length. The B–N bond length is 1.46 Å. There are two inequivalent C sites. In the first C site, C is bonded in a 2-coordinate geometry to one B3+, one C, and one N3- atom. The C–C bond length is 1.57 Å. The C–N bond length is 1.43 Å. In the second C site, C is bonded in a distorted single-bond geometry to one B3+, two C, and one N3- atom. The C–C bond length is 1.60 Å. The C–N bond length is 1.43 Å. N3- is bonded in a trigonal planar geometry to one B3+ and two C atoms.
DOI: 10.17188/1656160
title: Materials Data on Zn2SeS by Materials Project

description: Zn2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form corner-sharing ZnSe2S2 tetrahedra. Both Zn–Se bond lengths are 2.47 Å. Both Zn–S bond lengths are 2.38 Å. Se2- is bonded to four equivalent Zn2+ atoms to form SeZn4 tetrahedra that share corners with four equivalent SeZn4 tetrahedra and corners with eight equivalent SZn4 tetrahedra. S2- is bonded to four equivalent Zn2+ atoms to form SZn4 tetrahedra that share corners with four equivalent SZn4 tetrahedra and corners with eight equivalent SeZn4 tetrahedra.
DOI: 10.17188/1656161
title: Materials Data on Li2MnNbO4 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: 10.17188/1656162
title: Materials Data on Li4Co7(OF7)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: 10.17188/1656163
title: Materials Data on Li4Fe3Co2Ni3O16 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: 10.17188/1656164
title: Materials Data on LiBe2Pt by Materials Project

description: LiBe2Pt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Be and six equivalent Pt atoms. All Li–Be bond lengths are 2.41 Å. All Li–Pt bond lengths are 2.78 Å. Be is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms. All Be–Pt bond lengths are 2.41 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Be atoms.
DOI: 10.17188/1656165
title: Materials Data on Mg3Si4 by Materials Project

description: Mg3Si4 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.15 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.05 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.99 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.69–3.01 Å. In the fifth Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.14 Å. In the sixth Mg site, Mg is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.15 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to four Mg and two Si atoms. There are one shorter (2.42 Å) and one longer (2.44 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 1-coordinate geometry to five Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.39–2.44 Å. In the third Si site, Si is bonded in a 1-coordinate geometry to four Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.56 Å. In the fourth Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. In the sixth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. The Si–Si bond length is 2.38 Å. In the seventh Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. In the eighth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms.
DOI: 10.17188/1656167
title: Materials Data on K2RbScBr6 by Materials Project

description: (K)2RbScBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one RbScBr6 framework. In the RbScBr6 framework, Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent ScBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.23 Å. Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent RbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.65 Å. Br1- is bonded in a linear geometry to one Rb1+ and one Sc3+ atom.
DOI: 10.17188/1656168
title: Materials Data on CeZnNi2 by Materials Project

description: CeNi2Zn is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to one Ce, nine equivalent Ni, and three equivalent Zn atoms. The Ce–Ce bond length is 3.34 Å. There are six shorter (2.94 Å) and three longer (3.17 Å) Ce–Ni bond lengths. All Ce–Zn bond lengths are 3.13 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to one Ce, nine equivalent Ni, and three equivalent Zn atoms. The Ce–Ce bond length is 3.34 Å. There are six shorter (2.94 Å) and three longer (3.17 Å) Ce–Ni bond lengths. All Ce–Zn bond lengths are 3.13 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to one Ce, nine equivalent Ni, and three equivalent Zn atoms. The Ce–Ce bond length is 3.34 Å. There are six shorter (2.94 Å) and three longer (3.17 Å) Ce–Ni bond lengths. All Ce–Zn bond lengths are 3.13 Å. In the fourth Ce site, Ce is bonded in a 6-coordinate geometry to two Ce, twelve equivalent Ni, and six Zn atoms. All Ce–Ni bond lengths are 3.33 Å. All Ce–Zn bond lengths are 3.04 Å. Ni is bonded to five Ce, four equivalent Ni, and three Zn atoms to form distorted NiCe5Zn3Ni4 cuboctahedra that share corners with two equivalent ZnCe6Ni6 cuboctahedra, corners with fifteen equivalent NiCe5Zn3Ni4 cuboctahedra, edges with eight equivalent NiCe5Zn3Ni4 cuboctahedra, faces with three equivalent ZnCe6Ni6 cuboctahedra, and faces with eleven equivalent NiCe5Zn3Ni4 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.66 Å) Ni–Ni bond lengths. There are a spread of Ni–Zn bond distances ranging from 2.53–2.56 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ni atoms. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Ni atoms. In the third Zn site, Zn is bonded to six Ce and six equivalent Ni atoms to form ZnCe6Ni6 cuboctahedra that share corners with twelve equivalent NiCe5Zn3Ni4 cuboctahedra, edges with six equivalent ZnCe6Ni6 cuboctahedra, and faces with eighteen equivalent NiCe5Zn3Ni4 cuboctahedra.
DOI: 10.6084/m9.figshare.13669820
title: Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states

description: Source Data for Figures in the paper "Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states" by Zhiwei Wang, Heyuan Liu,<sup> </sup>Xiaoyu Xie,<sup> </sup>Chunfeng Zhang,<sup>*</sup> Rui Wang,<sup> </sup>Lan Chen,<sup> </sup>Yihe Xu,<sup> </sup>Haibo Ma,<sup>*</sup> Weihai Fang,<sup> </sup>Yao Yao, Hai Sang, Xiaoyong Wang, Xiyou Li,<sup>*</sup> Min Xiao<sup>*</sup><br>
DOI: 10.6084/m9.figshare.13669820.v1
title: Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states

description: Source Data for Figures in the paper "Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states" by Zhiwei Wang, Heyuan Liu,<sup> </sup>Xiaoyu Xie,<sup> </sup>Chunfeng Zhang,<sup>*</sup> Rui Wang,<sup> </sup>Lan Chen,<sup> </sup>Yihe Xu,<sup> </sup>Haibo Ma,<sup>*</sup> Weihai Fang,<sup> </sup>Yao Yao, Hai Sang, Xiaoyong Wang, Xiyou Li,<sup>*</sup> Min Xiao<sup>*</sup><br>
DOI: 10.17188/1656171
title: Materials Data on Tb2(B2Rh3)3 by Materials Project

description: Tb2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Tb–Rh bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four B atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to six Rh atoms.
DOI: 10.17188/1656172
title: Materials Data on CdH5Br3N2 by Materials Project

description: CdBr3NH2NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; four ammonia molecules; and two CdBr3 ribbons oriented in the (1, 0, 0) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form distorted edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.73–3.23 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1656173
title: Materials Data on Mn23FeO32 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: 10.17188/1656174
title: Materials Data on KYMnWO6 by Materials Project

description: KYWMnO6 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.56–3.17 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.52 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–38°. There are a spread of W–O bond distances ranging from 1.87–2.08 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 15–38°. There are a spread of Mn–O bond distances ranging from 2.11–2.37 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Y3+, one W6+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Y3+, one W6+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Y3+, one W6+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Y3+, one W6+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded to two equivalent Y3+, one W6+, and one Mn2+ atom to form distorted corner-sharing OY2MnW trigonal pyramids. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+, one W6+, and one Mn2+ atom.