cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1266575
title: Materials Data on Cu3As4H18C8I3(NO2)2 by Materials Project

description: (CH3)2Cu3C6As4H12I3(NO2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight methane molecules and two Cu3C6As4H12I3(NO2)2 sheets oriented in the (0, 1, 0) direction. In each Cu3C6As4H12I3(NO2)2 sheet, there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to two equivalent As3- and two equivalent I1- atoms to form corner-sharing CuAs2I2 tetrahedra. Both Cu–As bond lengths are 2.38 Å. Both Cu–I bond lengths are 2.62 Å. In the second Cu1+ site, Cu1+ is bonded to one As3-, one N3-, and two I1- atoms to form distorted corner-sharing CuAsI2N tetrahedra. The Cu–As bond length is 2.37 Å. The Cu–N bond length is 1.91 Å. There are one shorter (2.64 Å) and one longer (2.68 Å) Cu–I bond lengths. There are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted trigonal non-coplanar geometry to one As3- and three H1+ atoms. The C–As bond length is 1.96 Å. All C–H bond lengths are 1.10 Å. In the second C1+ site, C1+ is bonded in a distorted trigonal non-coplanar geometry to one As3- and three H1+ atoms. The C–As bond length is 1.96 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to one Cu1+, one C1+, and two O2- atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) As–O bond length. In the second As3- site, As3- is bonded in a 4-coordinate geometry to one Cu1+, one C1+, and two O2- atoms. Both As–O bond lengths are 1.84 Å. N3- is bonded in a linear geometry to one Cu1+ and one C1+ atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3- atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3- atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two Cu1+ atoms.
DOI: 10.17188/1266576
title: Materials Data on CsScAs2(HO4)2 by Materials Project

description: CsScAs2(HO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to one H1+ and ten O2- atoms. The Cs–H bond length is 3.34 Å. There are a spread of Cs–O bond distances ranging from 3.07–3.67 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.08–2.20 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 27–50°. There are a spread of As–O bond distances ranging from 1.70–1.78 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Cs1+ and two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Sc3+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three equivalent Cs1+, one As5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Sc3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cs1+, one Sc3+, one As5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Sc3+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to three equivalent Cs1+, one As5+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sc3+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one As5+ atom.
DOI: 10.6084/m9.figshare.13221092
title: MinION data Sodalis genome

description: MinION sequencing of deadwood associated Sodalis genome.<br>FASTQ basecalled by Albacore 2.1.7. with min quality 7.<br><br>
DOI: 10.17188/1266577
title: Materials Data on Nd3Sb5Pd6 by Materials Project

description: Nd3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.36–3.69 Å. There are two shorter (3.32 Å) and four longer (3.33 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Nd–Pd bond distances ranging from 3.28–3.62 Å. There are four shorter (3.32 Å) and two longer (3.37 Å) Nd–Sb bond lengths. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Nd, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.13 Å. There are two shorter (2.70 Å) and two longer (2.73 Å) Pd–Sb bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Nd, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Nd, one Pd, and four Sb atoms. The Pd–Pd bond length is 2.81 Å. There are a spread of Pd–Sb bond distances ranging from 2.65–2.72 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to four Nd, two equivalent Pd, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.83 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to three Nd and five Pd atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four Nd and five Pd atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Nd and four Pd atoms.
DOI: 10.6084/m9.figshare.13221092.v1
title: MinION data Sodalis genome

description: MinION sequencing of deadwood associated Sodalis genome.<br>FASTQ basecalled by Albacore 2.1.7. with min quality 7.<br><br>
DOI: 10.17188/1266578
title: Materials Data on Pr3Sb5Pd6 by Materials Project

description: Pr3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to ten Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.37–3.70 Å. There are two shorter (3.33 Å) and four longer (3.35 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to eight Pd and six Sb atoms. There are a spread of Pr–Pd bond distances ranging from 3.30–3.63 Å. There are a spread of Pr–Sb bond distances ranging from 3.33–3.38 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four Pr, two equivalent Pd, and four Sb atoms. Both Pd–Pd bond lengths are 3.14 Å. There are a spread of Pd–Sb bond distances ranging from 2.70–2.74 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to four Pr, four equivalent Pd, and four Sb atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Pr, one Pd, and four Sb atoms. The Pd–Pd bond length is 2.80 Å. There are a spread of Pd–Sb bond distances ranging from 2.65–2.73 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to four Pr, two equivalent Pd, and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to three Pr and five Pd atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to four Pr and five Pd atoms. In the third Sb site, Sb is bonded in a 8-coordinate geometry to four equivalent Pr and four Pd atoms.
DOI: 10.17188/1266579
title: Materials Data on Rb2Cd3H6S3O16 by Materials Project

description: Rb2Cd3H6S3O16 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.28 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with three SO4 tetrahedra, and an edgeedge with one CdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Cd–O bond distances ranging from 2.30–2.43 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with four equivalent CdO6 octahedra and corners with four SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Cd–O bond distances ranging from 2.31–2.47 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three CdO6 octahedra. The corner-sharing octahedra tilt angles range from 37–54°. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four CdO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There is three shorter (1.49 Å) and one longer (1.51 Å) S–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Cd2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Cd2+, and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to three Cd2+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to three Cd2+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to one Rb1+, one Cd2+, and two H1+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cd2+, and one S6+ atom.
DOI: 10.17188/1266580
title: Materials Data on EuAg5 by Materials Project

description: EuAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded in a distorted hexagonal planar geometry to eighteen Ag atoms. There are six shorter (3.31 Å) and twelve longer (3.70 Å) Eu–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Eu and nine Ag atoms. There are six shorter (2.87 Å) and three longer (3.31 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to four equivalent Eu and eight Ag atoms to form a mixture of corner, edge, and face-sharing AgEu4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.86 Å.
DOI: 10.17188/1266581
title: Materials Data on AlRu by Materials Project

description: RuAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.60 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1266582
title: Materials Data on AsSe by Materials Project

description: AsSe is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsSe clusters. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the third As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.41 Å. In the fourth As2+ site, As2+ is bonded in an L-shaped geometry to two Se2- atoms. Both As–Se bond lengths are 2.40 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms. In the fourth Se2- site, Se2- is bonded in a water-like geometry to two As2+ atoms.
DOI: 10.17188/1266583
title: Materials Data on ThB4 by Materials Project

description: ThB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.09 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted trigonal planar geometry to six equivalent Th and three B atoms. There is two shorter (1.75 Å) and one longer (1.84 Å) B–B bond length. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. There is one shorter (1.66 Å) and four longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Th and five B atoms. Both B–B bond lengths are 1.84 Å.
DOI: 10.17188/1266584
title: Materials Data on EuTe by Materials Project

description: EuTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing EuTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Te bond lengths are 3.27 Å. Te2- is bonded to six equivalent Eu2+ atoms to form a mixture of edge and corner-sharing TeEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1266585
title: Materials Data on EuTl by Materials Project

description: EuTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Eu–Tl bond lengths are 3.91 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1266586
title: Materials Data on Ge3Pt2 by Materials Project

description: Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.
DOI: 10.6084/m9.figshare.13664453
title: snpsnap_database_ld0.9

description: SNPSNAP database dowloaded from https://data.broadinstitute.org/mpg/snpsnap/. <br>This database is restricted to ld0.9 from the European population.
DOI: 10.17188/1266587
title: Materials Data on NdGe2Ir by Materials Project

description: NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.78 Å.
DOI: 10.17188/1266588
title: Materials Data on Ge2W by Materials Project

description: WGe2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded in a distorted q6 geometry to ten equivalent Ge atoms. There are eight shorter (2.72 Å) and two longer (2.80 Å) W–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to five equivalent W and five equivalent Ge atoms. There are one shorter (2.70 Å) and four longer (2.77 Å) Ge–Ge bond lengths.
DOI: 10.17188/1266589
title: Materials Data on Hg(SbS2)4 by Materials Project

description: Hg(SbS2)2(SbS2)2 is Stibnite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Hg(SbS2)2 sheets oriented in the (1, 0, 0) direction and two SbS2 sheets oriented in the (1, 0, 0) direction. In each Hg(SbS2)2 sheet, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.38–3.44 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.38–3.45 Å. There are two inequivalent Sb+3.50+ sites. In the first Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.49–2.94 Å. In the second Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.49–2.94 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Hg2+ and three Sb+3.50+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two equivalent Sb+3.50+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Hg2+ and three Sb+3.50+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two equivalent Sb+3.50+ atoms. In each SbS2 sheet, there are two inequivalent Sb+3.50+ sites. In the first Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form distorted edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.50–3.00 Å. In the second Sb+3.50+ site, Sb+3.50+ is bonded to five S2- atoms to form distorted edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.50–3.02 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sb+3.50+ and one S2- atom. The S–S bond length is 2.08 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Sb+3.50+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sb+3.50+ and one S2- atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Sb+3.50+ atoms.
DOI: 10.17188/1266591
title: Materials Data on ErB3Mo by Materials Project

description: ErMoB3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Er–B bond distances ranging from 2.62–3.22 Å. Mo6+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Mo–B bond distances ranging from 2.28–2.37 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Er3+, three equivalent Mo6+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Er3+, three equivalent Mo6+, and three B3- atoms. There is one shorter (1.78 Å) and two longer (1.84 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Er3+, three equivalent Mo6+, and three B3- atoms. Both B–B bond lengths are 1.83 Å.