cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1676842
title: Materials Data on SnTePt by Materials Project

description: PtSnTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Sn4+ and three equivalent Te2- atoms to form PtSn3Te3 octahedra that share corners with twelve equivalent PtSn3Te3 octahedra, corners with three equivalent SnTePt3 trigonal pyramids, and corners with three equivalent TeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pt–Sn bond lengths are 2.72 Å. All Pt–Te bond lengths are 2.74 Å. Sn4+ is bonded to three equivalent Pt2- and one Te2- atom to form distorted SnTePt3 trigonal pyramids that share corners with three equivalent PtSn3Te3 octahedra, corners with six equivalent SnTePt3 trigonal pyramids, and corners with nine equivalent TeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sn–Te bond length is 2.89 Å. Te2- is bonded to three equivalent Pt2- and one Sn4+ atom to form distorted TeSnPt3 trigonal pyramids that share corners with three equivalent PtSn3Te3 octahedra, corners with six equivalent TeSnPt3 trigonal pyramids, and corners with nine equivalent SnTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
DOI: 10.17188/1676843
title: Materials Data on Li2Sm2Si3 by Materials Project

description: Li2Sm2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent Sm and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiSm3Si4 tetrahedra. All Li–Sm bond lengths are 3.08 Å. There are a spread of Li–Si bond distances ranging from 2.57–2.67 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.21 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. There are four shorter (3.07 Å) and two longer (3.14 Å) Sm–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sm, and two equivalent Si atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three Sm atoms.
DOI: 10.17188/1676844
title: Materials Data on K2BiBr5O2 by Materials Project

description: KOBrKBiOBr(Br)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of twenty-four hydrobromic acid molecules; four KOBr clusters; and four KBiOBr ribbons oriented in the (1, 0, 0) direction. In each KOBr cluster, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.60 Å. In the second K1+ site, K1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.71 Å. O2- is bonded in a distorted trigonal planar geometry to two K1+ and one Br+0.20+ atom. The O–Br bond length is 1.78 Å. Br+0.20+ is bonded in a single-bond geometry to one O2- atom. In each KBiOBr ribbon, K1+ is bonded in a distorted bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (3.32 Å) K–O bond lengths. Bi1+ is bonded in a single-bond geometry to one O2- atom. The Bi–O bond length is 2.28 Å. O2- is bonded in a 3-coordinate geometry to two equivalent K1+, one Bi1+, and one Br+0.20+ atom. The O–Br bond length is 1.88 Å. Br+0.20+ is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1676845
title: Materials Data on Nb2GeC by Materials Project

description: Nb2GeC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded to three equivalent Ge and three equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing NbGe3C3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. All Nb–Ge bond lengths are 2.73 Å. All Nb–C bond lengths are 2.22 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Nb atoms. C is bonded to six equivalent Nb atoms to form edge-sharing CNb6 octahedra.
DOI: 10.17188/1676846
title: Materials Data on TmCuTe2 by Materials Project

description: TmCuTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with six equivalent CuTe4 tetrahedra, edges with six equivalent TmTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. There are three shorter (3.00 Å) and three longer (3.12 Å) Tm–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six equivalent TmTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, and edges with three equivalent TmTe6 octahedra. The corner-sharing octahedra tilt angles range from 21–56°. There are three shorter (2.59 Å) and one longer (2.63 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tm3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded to three equivalent Tm3+ and three equivalent Cu1+ atoms to form distorted edge-sharing TeTm3Cu3 octahedra.
DOI: 10.17188/1676847
title: Materials Data on K3Mo4O16F by Materials Project

description: K3Mo4O16F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.31 Å. In the second K site, K is bonded in a 6-coordinate geometry to five O and one F atom. There are a spread of K–O bond distances ranging from 2.80–3.01 Å. The K–F bond length is 2.60 Å. In the third K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.71–3.18 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to five O and one F atom. There are a spread of Mo–O bond distances ranging from 1.73–2.35 Å. The Mo–F bond length is 1.98 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.46 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.45 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the second O site, O is bonded in a distorted single-bond geometry to one K and two Mo atoms. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent K and one Mo atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a single-bond geometry to one K atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two K and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one K and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Mo atoms. In the tenth O site, O is bonded in a distorted rectangular see-saw-like geometry to one K and three Mo atoms. In the eleventh O site, O is bonded in a 1-coordinate geometry to two K and one Mo 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 1-coordinate geometry to three K and one Mo atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the fifteenth O site, O is bonded in a 4-coordinate geometry to four Mo atoms. In the sixteenth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom. F is bonded in a bent 150 degrees geometry to one K and one Mo atom.
DOI: 10.17188/1676848
title: Materials Data on Na4Ti5Mn4O18 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: 10.17188/1676849
title: Materials Data on CsP7 by Materials Project

description: CsP7 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve P+0.14- atoms. There are a spread of Cs–P bond distances ranging from 3.72–4.24 Å. There are five inequivalent P+0.14- sites. In the first P+0.14- site, P+0.14- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three P+0.14- atoms. There are one shorter (2.15 Å) and two longer (2.23 Å) P–P bond lengths. In the second P+0.14- site, P+0.14- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three P+0.14- atoms. There are one shorter (2.22 Å) and two longer (2.25 Å) P–P bond lengths. In the third P+0.14- site, P+0.14- is bonded to two equivalent Cs1+ and two P+0.14- atoms to form corner-sharing PCs2P2 tetrahedra. The P–P bond length is 2.15 Å. In the fourth P+0.14- site, P+0.14- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three P+0.14- atoms. In the fifth P+0.14- site, P+0.14- is bonded in a distorted see-saw-like geometry to one Cs1+ and three P+0.14- atoms. The P–P bond length is 2.24 Å.
DOI: 10.17188/1676850
title: Materials Data on Ca4SiP4 by Materials Project

description: Ca4SiP4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Ca–Si bond length is 3.00 Å. There are three shorter (2.94 Å) and three longer (3.09 Å) Ca–P bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Ca–Si bond length is 2.98 Å. There are a spread of Ca–P bond distances ranging from 2.91–3.10 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to four equivalent Ca2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.27 Å. In the second Si4- site, Si4- is bonded in a distorted body-centered cubic geometry to four equivalent Ca2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.26 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to six Ca2+ and one Si4- atom. In the second P1- site, P1- is bonded to six Ca2+ and one Si4- atom to form a mixture of distorted corner, edge, and face-sharing PCa6Si pentagonal bipyramids.
DOI: 10.17188/1676851
title: Materials Data on Ce3Se3N by Materials Project

description: Ce3NSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to one N3- and five Se2- atoms to form distorted edge-sharing CeSe5N octahedra. The Ce–N bond length is 2.26 Å. There are a spread of Ce–Se bond distances ranging from 2.95–3.13 Å. In the second Ce3+ site, Ce3+ is bonded in a 1-coordinate geometry to one N3- and six Se2- atoms. The Ce–N bond length is 2.35 Å. There are a spread of Ce–Se bond distances ranging from 2.97–3.20 Å. In the third Ce3+ site, Ce3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Se2- atoms. Both Ce–N bond lengths are 2.40 Å. There are a spread of Ce–Se bond distances ranging from 2.99–3.21 Å. N3- is bonded to four Ce3+ atoms to form NCe4 tetrahedra that share corners with three equivalent SeCe6 octahedra, corners with two equivalent SeCe5 square pyramids, corners with two equivalent NCe4 tetrahedra, edges with two equivalent SeCe6 octahedra, and edges with three equivalent SeCe5 square pyramids. The corner-sharing octahedra tilt angles range from 8–42°. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce3+ atoms to form distorted SeCe5 square pyramids that share corners with five equivalent SeCe6 octahedra, corners with two equivalent NCe4 tetrahedra, an edgeedge with one SeCe6 octahedra, edges with four equivalent SeCe5 square pyramids, and edges with three equivalent NCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–57°. In the second Se2- site, Se2- is bonded to six Ce3+ atoms to form distorted SeCe6 octahedra that share corners with five equivalent SeCe5 square pyramids, corners with three equivalent NCe4 tetrahedra, edges with four equivalent SeCe6 octahedra, an edgeedge with one SeCe5 square pyramid, and edges with two equivalent NCe4 tetrahedra. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ce3+ atoms.
DOI: 10.17188/1676852
title: Materials Data on BeClO by Materials Project

description: (BeO)2Cl2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six BeO sheets oriented in the (0, 0, 1) direction and six Cl2 sheets oriented in the (0, 0, 1) direction. In each BeO sheet, Be is bonded in a trigonal planar geometry to three equivalent O atoms. All Be–O bond lengths are 1.56 Å. O is bonded in a trigonal planar geometry to three equivalent Be atoms. In each Cl2 sheet, Cl is bonded in a hexagonal planar geometry to six equivalent Cl atoms. All Cl–Cl bond lengths are 2.70 Å.
DOI: 10.17188/1676853
title: Materials Data on MgZr2 by Materials Project

description: MgZr2 is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Zr atoms to form MgMg6Zr6 cuboctahedra that share corners with six equivalent MgMg6Zr6 cuboctahedra, corners with twelve equivalent ZrMg3Zr9 cuboctahedra, edges with six equivalent MgMg6Zr6 cuboctahedra, edges with twelve equivalent ZrMg3Zr9 cuboctahedra, faces with six equivalent MgMg6Zr6 cuboctahedra, and faces with fourteen equivalent ZrMg3Zr9 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Zr bond lengths are 3.25 Å. Zr is bonded to three equivalent Mg and nine equivalent Zr atoms to form ZrMg3Zr9 cuboctahedra that share corners with six equivalent MgMg6Zr6 cuboctahedra, corners with nine equivalent ZrMg3Zr9 cuboctahedra, edges with six equivalent MgMg6Zr6 cuboctahedra, edges with fifteen equivalent ZrMg3Zr9 cuboctahedra, faces with seven equivalent MgMg6Zr6 cuboctahedra, and faces with twelve equivalent ZrMg3Zr9 cuboctahedra. There are three shorter (3.10 Å) and six longer (3.24 Å) Zr–Zr bond lengths.
DOI: 10.17188/1676854
title: Materials Data on Eu3InP3 by Materials Project

description: Eu3InP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to five P3- atoms to form distorted EuP5 trigonal bipyramids that share corners with nine EuP6 octahedra, corners with two equivalent InP4 tetrahedra, edges with four EuP6 octahedra, edges with two equivalent InP4 tetrahedra, edges with two equivalent EuP5 trigonal bipyramids, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 20–62°. There are a spread of Eu–P bond distances ranging from 2.95–3.11 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with seven equivalent EuP6 octahedra, corners with three equivalent InP4 tetrahedra, corners with six equivalent EuP5 trigonal bipyramids, edges with four equivalent EuP6 octahedra, edges with two equivalent InP4 tetrahedra, an edgeedge with one EuP5 trigonal bipyramid, a faceface with one EuP6 octahedra, and a faceface with one EuP5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of Eu–P bond distances ranging from 2.94–3.41 Å. In the third Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 octahedra that share corners with seven equivalent EuP6 octahedra, corners with three equivalent InP4 tetrahedra, corners with three equivalent EuP5 trigonal bipyramids, edges with four equivalent EuP6 octahedra, edges with three equivalent InP4 tetrahedra, edges with three equivalent EuP5 trigonal bipyramids, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of Eu–P bond distances ranging from 3.00–3.64 Å. In3+ is bonded to four P3- atoms to form InP4 tetrahedra that share corners with six EuP6 octahedra, corners with two equivalent InP4 tetrahedra, corners with two equivalent EuP5 trigonal bipyramids, edges with five EuP6 octahedra, and edges with two equivalent EuP5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 18–52°. There are three shorter (2.61 Å) and one longer (2.65 Å) In–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to six Eu2+ and one In3+ atom. In the second P3- site, P3- is bonded to six Eu2+ and one In3+ atom to form distorted face-sharing PEu6In pentagonal bipyramids. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Eu2+ and two equivalent In3+ atoms.
DOI: 10.17188/1676855
title: Materials Data on BaCaDy2F10 by Materials Project

description: BaCaDy2F10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.61–2.83 Å. Ca2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ca–F bond distances ranging from 2.39–2.82 Å. Dy3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Dy–F bond distances ranging from 2.28–2.61 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Dy3+ and six F1- atoms. There are two shorter (2.40 Å) and four longer (2.43 Å) F–F bond lengths. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Dy3+ atoms. In the third F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Ba2+ and two equivalent Ca2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Ba2+, one Ca2+, two equivalent Dy3+, and one F1- atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+, one Ca2+, two equivalent Dy3+, and one F1- atom.
DOI: 10.17188/1676856
title: Materials Data on SmCo3 by Materials Project

description: SmCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.16 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of face, edge, and corner-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra.
DOI: 10.17188/1676857
title: Materials Data on Tm2Mn3Sb3O14 by Materials Project

description: Tm2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.49 Å. There are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are four shorter (1.98 Å) and two longer (2.16 Å) Mn–O bond lengths. In the second Mn+2.33+ site, Mn+2.33+ is bonded to eight O2- atoms to form distorted MnO8 hexagonal bipyramids that share edges with six SbO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.13–2.61 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.26–2.57 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–56°. There is two shorter (1.95 Å) and four longer (2.01 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four SbO6 octahedra, and edges with two equivalent MnO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two Mn+2.33+ atoms to form OTm2Mn2 tetrahedra that share corners with six OTm2Mn2 tetrahedra and an edgeedge with one OTm2MnSb tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tm3+, one Mn+2.33+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OTm2MnSb tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Mn+2.33+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Tm3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Tm3+, one Mn+2.33+, and two Sb5+ atoms.