cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681772
title: Materials Data on Sr3TiSi4H2O13 by Materials Project

description: Sr3TiSi4H2O13 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Sr–H bond length is 2.77 Å. There are a spread of Sr–O bond distances ranging from 2.50–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to two H1+ and seven O2- atoms. There are one shorter (2.73 Å) and one longer (2.76 Å) Sr–H bond lengths. There are a spread of Sr–O bond distances ranging from 2.58–2.74 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.83 Å. There are two shorter (2.42 Å) and four longer (2.65 Å) Sr–O bond lengths. Ti2+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Ti–O bond distances ranging from 1.95–2.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Si–O bond distances ranging from 1.59–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted bent 120 degrees geometry to two Sr2+ atoms. In the second H1+ site, H1+ is bonded in an L-shaped geometry to two Sr2+ atoms. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent Ti2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ti2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one Ti2+, and one Si4+ atom.
DOI: 10.17188/1681773
title: Materials Data on Dy2Cu(SO6)2 by Materials Project

description: Dy2Cu(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.32–2.53 Å. Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.81 Å) and two longer (1.85 Å) Cu–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy and one Cu atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy and one Cu atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Dy and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Dy and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.
DOI: 10.17188/1681775
title: Materials Data on Co(PO3)4 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: 10.17188/1681776
title: Materials Data on Tm4Co3 by Materials Project

description: Tm4Co3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Tm sites. In the first Tm site, Tm is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Tm–Co bond distances ranging from 2.83–2.98 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Tm–Co bond distances ranging from 2.83–2.98 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.73–3.00 Å. In the fourth Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.74–3.00 Å. In the fifth Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.74–3.00 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Tm and three Co atoms. All Co–Co bond lengths are 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. There are one shorter (2.97 Å) and one longer (2.98 Å) Co–Tm bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. In the fourth Co site, Co is bonded in a 6-coordinate geometry to six Tm atoms.
DOI: 10.17188/1681777
title: Materials Data on LiMnPO4F 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: 10.17188/1681778
title: Materials Data on CsSmI3 by Materials Project

description: CsSmI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.88–4.12 Å. Sm2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SmI6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Sm–I bond lengths are 3.18 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sm2+ atoms.
DOI: 10.17188/1681779
title: Materials Data on NaPu by Materials Project

description: NaPu crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to eight Na and three Pu atoms. There are a spread of Na–Na bond distances ranging from 3.23–3.80 Å. There are a spread of Na–Pu bond distances ranging from 3.60–3.96 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to five Na and eight Pu atoms. There are one shorter (3.43 Å) and one longer (3.78 Å) Na–Na bond lengths. There are a spread of Na–Pu bond distances ranging from 3.41–3.96 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five Pu atoms. There are one shorter (3.49 Å) and one longer (3.91 Å) Na–Na bond lengths. There are a spread of Na–Pu bond distances ranging from 3.48–4.07 Å. There are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 6-coordinate geometry to six Na and three Pu atoms. There are two shorter (2.38 Å) and one longer (2.53 Å) Pu–Pu bond lengths. In the second Pu site, Pu is bonded in a 3-coordinate geometry to six Na and three Pu atoms. There are one shorter (2.43 Å) and one longer (2.46 Å) Pu–Pu bond lengths. In the third Pu site, Pu is bonded in a 6-coordinate geometry to four Na and three Pu atoms.
DOI: 10.17188/1681780
title: Materials Data on Mn12SiNi32P13 by Materials Project

description: Mn12Ni32SiP13 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to eight Ni and four P atoms. There are a spread of Mn–Ni bond distances ranging from 2.56–2.77 Å. There are two shorter (2.81 Å) and two longer (2.82 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to eight Ni and four P atoms. There are a spread of Mn–Ni bond distances ranging from 2.56–2.75 Å. All Mn–P bond lengths are 2.81 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three Mn, three Ni, and three P atoms. There are one shorter (2.50 Å) and two longer (2.51 Å) Ni–Ni bond lengths. There are one shorter (2.23 Å) and two longer (2.24 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three Mn, three Ni, and three P atoms. There are two shorter (2.50 Å) and one longer (2.51 Å) Ni–Ni bond lengths. There are two shorter (2.24 Å) and one longer (2.25 Å) Ni–P bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent P atoms. All Ni–Ni bond lengths are 2.52 Å. All Ni–P bond lengths are 2.24 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent P atoms. All Ni–Ni bond lengths are 2.50 Å. All Ni–P bond lengths are 2.24 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four P atoms. All Ni–Ni bond lengths are 2.56 Å. There are one shorter (2.22 Å) and three longer (2.43 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, one Si, and three P atoms. All Ni–Ni bond lengths are 2.60 Å. The Ni–Si bond length is 2.25 Å. All Ni–P bond lengths are 2.42 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, one Si, and three equivalent P atoms. The Ni–Si bond length is 2.25 Å. All Ni–P bond lengths are 2.42 Å. In the eighth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four P atoms. There are one shorter (2.22 Å) and three longer (2.44 Å) Ni–P bond lengths. Si is bonded in a body-centered cubic geometry to eight Ni atoms. There are four inequivalent P sites. In the first P site, P is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted corner and face-sharing PMn4Ni8 cuboctahedra. In the second P site, P is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted corner and face-sharing PMn4Ni8 cuboctahedra. In the third P site, P is bonded to four Mn and eight Ni atoms to form a mixture of distorted corner and face-sharing PMn4Ni8 cuboctahedra. In the fourth P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.
DOI: 10.17188/1681781
title: Materials Data on Li7Mn(O2F)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: 10.17188/1681782
title: Materials Data on TcC5ClO5 by Materials Project

description: TcC5O5Cl is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TcC5O5Cl clusters. Tc1- is bonded in an octahedral geometry to five C+2.40+ and one Cl1- atom. There are a spread of Tc–C bond distances ranging from 1.92–2.02 Å. The Tc–Cl bond length is 2.51 Å. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. Cl1- is bonded in a single-bond geometry to one Tc1- atom.
DOI: 10.17188/1681784
title: Materials Data on Sr2FeCoO6 by Materials Project

description: Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent FeO6 octahedra, and faces with four equivalent CoO6 octahedra. All Sr–O bond lengths are 2.74 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.98 Å. Co is bonded to six equivalent O atoms to form CoO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.89 Å. O is bonded to four equivalent Sr, one Fe, and one Co atom to form a mixture of distorted face, edge, and corner-sharing OSr4FeCo octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1681786
title: Materials Data on Cs2TlAuI6 by Materials Project

description: Cs2AuTlI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent AuI6 octahedra, and faces with four equivalent TlI6 octahedra. All Cs–I bond lengths are 4.29 Å. Au3+ is bonded to six equivalent I1- atoms to form AuI6 octahedra that share corners with six equivalent TlI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–I bond lengths are 2.91 Å. Tl1+ is bonded to six equivalent I1- atoms to form TlI6 octahedra that share corners with six equivalent AuI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–I bond lengths are 3.16 Å. I1- is bonded to four equivalent Cs1+, one Au3+, and one Tl1+ atom to form a mixture of distorted face, edge, and corner-sharing ICs4TlAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1681787
title: Materials Data on MgCr4O9 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: 10.17188/1681788
title: Materials Data on CaAg3 by Materials Project

description: CaAg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded to twelve Ag atoms to form a mixture of edge, face, and corner-sharing CaAg12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.11 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca atoms to form a mixture of distorted edge and corner-sharing AgCa4 cuboctahedra. In the second Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Ca atoms.
DOI: 10.17188/1681789
title: Materials Data on Fe4TeSe3 by Materials Project

description: Fe4TeSe3 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4TeSe3 sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.57 Å. Both Fe–Se bond lengths are 2.40 Å. In the second Fe2+ site, Fe2+ is bonded to four Se2- atoms to form corner-sharing FeSe4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.37 Å) Fe–Se bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to one Te2- and three Se2- atoms. The Fe–Te bond length is 2.56 Å. All Fe–Se bond lengths are 2.38 Å. Te2- is bonded in a 12-coordinate geometry to four Fe2+ atoms. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.
DOI: 10.17188/1681790
title: Materials Data on Fe5Si3 by Materials Project

description: Fe5Si3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. there are two inequivalent Fe+2.40+ sites. In the first Fe+2.40+ site, Fe+2.40+ is bonded in a distorted linear geometry to six equivalent Si4- atoms. There are two shorter (2.22 Å) and four longer (2.72 Å) Fe–Si bond lengths. In the second Fe+2.40+ site, Fe+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing FeSi6 cuboctahedra. All Fe–Si bond lengths are 2.49 Å. Si4- is bonded in a 2-coordinate geometry to ten Fe+2.40+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.72 Å.
DOI: 10.17188/1681791
title: Materials Data on Ho4FeSn8 by Materials Project

description: Ho4FeSn8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.19–3.48 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.19–3.33 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Fe and ten Sn atoms. All Ho–Fe bond lengths are 3.48 Å. There are a spread of Ho–Sn bond distances ranging from 3.30–3.70 Å. In the fourth Ho site, Ho is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.20–3.52 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Ho and five Sn atoms. There are a spread of Fe–Sn bond distances ranging from 2.47–2.51 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Ho, one Fe, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.08 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Ho and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to four Ho, two equivalent Fe, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.15 Å. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.15 Å. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to four Ho, two equivalent Fe, and four equivalent Sn atoms. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho and four equivalent Sn atoms.
DOI: 10.5281/zenodo.4485600
title: Water quality data sets of the Gozyo catchment and the four U.S. watersheds

description: This zipped file contains three excel files. Table GZ_Solute.xls and Table GZ_Tb.xls are high-frequency water quality data in the stream of the small forested catchment, Gozyo cattchment (12.14ha), Nara, Japan. The high-frequency on-site Water quality (WQ) measurements of K, Cl, and Na in the stream using flow-injection potentiometry method with 15-minute interval were interpolated to 10-minute interval data. The SS concentration in the stream was estimated by linear transformation from the observed 10-minute turbidity value. Table GZ_Solute.xls gives observed 10-minute solutes data with discharge, rainfall, and temperature from 2009 to 2011, and Table GZ_Tb.xls provides the observed 10-minute turbidity data from 2012 to 2014. SS value (mg/l) is calculated as 1.09 Turbidity + 6.19. The data value of -999 means missing observation. Tables US_daily_WQ_datasets.xls contains daily water quality (WQ) and discharge data from the four watersheds in the United States. The data value of -999 also means missing observation. The names (USGS station numbers) of four WQ monitoring sites are Muskingum River (03150000), Rock Creek (04197170), Skunk River (05474000), and Vermilion River (04195000). Daily WQ data were composed by following the procedure described in the Appendix S1 in Hirsch (2014). The WQ data for Muskingum, Rock, and Vermilion river were retrieved from Heidelberg University's National Center for Water Quality Research site (https://ncwqr.org/monitoring/data) and suspended sediment discharge data were downloaded from the USGS National Water Information System (http://waterdata.usgs.gov/nwis/ or https://doi.org/: 10.5066/F7P55KJN). All the daily discharge data were acquired via the USGS National Water Information System. These data were used to evaluate the performance of the unbiased load estimates and confidence intervals of river loads based on the Rating curve method using importance sampling in the listed article below. To maintain the traceability of the proposed load estimation method and replicability the results in the article, the authors of the article upload the data used in this repository. References Hirsch, R. M. (2014). Large biases in regression-based constituent flux estimates: causes and diagnostic tools. <em>Journal of the American Water Resources Association</em>, 50(6), 1401-1424. https://doi.org/10.1111/jawr.12195 Tada, A. and H. Tanakamaru. (Submitted) Unbiased estimates and confidence intervals for riverine loads, <em>Water Resources Research</em>.
DOI: 10.17188/1681792
title: Materials Data on Co by Materials Project

description: Co crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are four inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.23–2.84 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.27–2.69 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to fourteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.35–2.82 Å. In the fourth Co site, Co is bonded in a distorted q6 geometry to eleven Co atoms. The Co–Co bond length is 2.28 Å.