cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1665693
title: Materials Data on Ba3H by Materials Project

description: (Ba)6H2 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of six barium molecules and two hydrogen molecules.
DOI: 10.17188/1665694
title: Materials Data on MgNiO2 by Materials Project

description: MgNiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.11 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.12 Å. O2- is bonded to three equivalent Mg2+ and three equivalent Ni2+ atoms to form a mixture of corner and edge-sharing OMg3Ni3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1665695
title: Materials Data on Mg2Cu2CO11 by Materials Project

description: Mg2Cu2CO11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.91–2.42 Å. Cu is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.66 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Mg, one Cu, and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one C atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two equivalent Mg, one Cu, and one O atom. The O–O bond length is 1.48 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one O atom.
DOI: 10.17188/1665696
title: Materials Data on Lu6Ta4Al43 by Materials Project

description: Lu6Ta4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to one Lu, one Ta, and fifteen Al atoms. The Lu–Lu bond length is 3.46 Å. The Lu–Ta bond length is 3.46 Å. There are a spread of Lu–Al bond distances ranging from 3.05–3.46 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Al atoms to form TaAl12 cuboctahedra that share edges with six equivalent AlTa2Al10 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.91 Å) Ta–Al bond lengths. In the second Ta site, Ta is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of Ta–Al bond distances ranging from 2.65–2.76 Å. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Lu, two Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.05 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.78–3.06 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, one Ta, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.07 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Lu, one Ta, and seven Al atoms. There are two shorter (2.82 Å) and one longer (2.89 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to two equivalent Ta and ten Al atoms to form distorted AlTa2Al10 cuboctahedra that share corners with four equivalent AlLu3Al9 cuboctahedra, edges with two equivalent TaAl12 cuboctahedra, and faces with two equivalent AlTa2Al10 cuboctahedra. Both Al–Al bond lengths are 2.84 Å. In the seventh Al site, Al is bonded to three equivalent Lu and nine Al atoms to form AlLu3Al9 cuboctahedra that share corners with six AlTa2Al10 cuboctahedra and faces with two equivalent AlLu3Al9 cuboctahedra.
DOI: 10.17188/1665697
title: Materials Data on V(PbN)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: 10.17188/1665698
title: Materials Data on LiPWO4 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: 10.17188/1665699
title: Materials Data on CuH14C4(NO2)4 by Materials Project

description: CuH6(CO3)2(CO(NH2)2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four formylhydrazine molecules and one CuH6(CO3)2 sheet oriented in the (1, 0, 0) direction. In the CuH6(CO3)2 sheet, Cu2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 2.02–2.62 Å. C3+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. There are three 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Cu2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one C3+ atom.
DOI: 10.17188/1665700
title: Materials Data on NbVO4 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: 10.17188/1665702
title: Materials Data on Na2TlPb by Materials Project

description: Na2TlPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Na2TlPb ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to one Tl and one Pb atom. The Na–Tl bond length is 3.23 Å. The Na–Pb bond length is 3.13 Å. Tl is bonded in a linear geometry to two equivalent Na atoms. Pb is bonded in a linear geometry to two equivalent Na atoms.
DOI: 10.17188/1665703
title: Materials Data on HW2C9NO10 by Materials Project

description: W2NHO(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eighteen formaldehyde molecules and two W2NHO clusters. In each W2NHO cluster, there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded in a linear geometry to one N3- and one H1+ atom. The W–N bond length is 1.88 Å. The W–H bond length is 1.94 Å. In the second W5+ site, W5+ is bonded in a single-bond geometry to one H1+ atom. The W–H bond length is 1.93 Å. N3- is bonded in a linear geometry to one W5+ and one O2- atom. The N–O bond length is 1.18 Å. H1+ is bonded in a bent 120 degrees geometry to two W5+ atoms. O2- is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1665704
title: Materials Data on Tm2SnAu2 by Materials Project

description: Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.94 Å) and four longer (2.99 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.44 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.91 Å) and four longer (3.04 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.49 Å. Au is bonded in a 9-coordinate geometry to six Tm, one Au, and two equivalent Sn atoms. The Au–Au bond length is 2.84 Å. Both Au–Sn bond lengths are 3.09 Å. Sn is bonded to eight Tm and four equivalent Au atoms to form a mixture of face and corner-sharing SnTm8Au4 cuboctahedra.
DOI: 10.17188/1665705
title: Materials Data on InS2 by Materials Project

description: InS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. In3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All In–S bond lengths are 3.33 Å. S+1.50- is bonded to six equivalent In3+ and six equivalent S+1.50- atoms to form a mixture of face, edge, and corner-sharing SIn6S6 cuboctahedra. All S–S bond lengths are 2.84 Å.
DOI: 10.17188/1665708
title: Materials Data on MgTi by Materials Project

description: MgTi is beta-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five Ti atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent TiMg5Ti7 cuboctahedra, corners with twelve MgMg7Ti5 cuboctahedra, edges with five MgMg7Ti5 cuboctahedra, edges with thirteen TiMg5Ti7 cuboctahedra, faces with ten MgMg7Ti5 cuboctahedra, and faces with ten TiMg5Ti7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.95–3.14 Å. There are a spread of Mg–Ti bond distances ranging from 3.10–3.32 Å. In the second Mg site, Mg is bonded to seven Mg and five Ti atoms to form MgMg7Ti5 cuboctahedra that share corners with six equivalent MgMg7Ti5 cuboctahedra, corners with twelve TiMg5Ti7 cuboctahedra, edges with eight MgMg7Ti5 cuboctahedra, edges with ten TiMg5Ti7 cuboctahedra, faces with ten MgMg7Ti5 cuboctahedra, and faces with ten TiMg5Ti7 cuboctahedra. There are two shorter (2.97 Å) and two longer (3.10 Å) Mg–Mg bond lengths. There are a spread of Mg–Ti bond distances ranging from 3.14–3.26 Å. In the third Mg site, Mg is bonded to six Mg and six Ti atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with six equivalent TiMg5Ti7 cuboctahedra, corners with twelve MgMg7Ti5 cuboctahedra, edges with nine MgMg7Ti5 cuboctahedra, edges with nine TiMg5Ti7 cuboctahedra, faces with eight MgMg7Ti5 cuboctahedra, and faces with twelve TiMg5Ti7 cuboctahedra. Both Mg–Mg bond lengths are 2.97 Å. There are a spread of Mg–Ti bond distances ranging from 2.95–3.01 Å. There are three inequivalent Ti sites. In the first Ti site, Ti is bonded to five Mg and seven Ti atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent MgMg7Ti5 cuboctahedra, corners with twelve TiMg5Ti7 cuboctahedra, edges with five TiMg6Ti6 cuboctahedra, edges with thirteen MgMg7Ti5 cuboctahedra, faces with ten MgMg7Ti5 cuboctahedra, and faces with ten TiMg5Ti7 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.81–2.98 Å. In the second Ti site, Ti is bonded to six Mg and six Ti atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent MgMg7Ti5 cuboctahedra, corners with twelve TiMg5Ti7 cuboctahedra, edges with nine MgMg7Ti5 cuboctahedra, edges with nine TiMg5Ti7 cuboctahedra, faces with eight TiMg5Ti7 cuboctahedra, and faces with twelve MgMg7Ti5 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.97 Å) Ti–Ti bond lengths. In the third Ti site, Ti is bonded to five Mg and seven Ti atoms to form TiMg5Ti7 cuboctahedra that share corners with six equivalent TiMg5Ti7 cuboctahedra, corners with twelve MgMg7Ti5 cuboctahedra, edges with eight TiMg5Ti7 cuboctahedra, edges with ten MgMg7Ti5 cuboctahedra, faces with ten MgMg7Ti5 cuboctahedra, and faces with ten TiMg5Ti7 cuboctahedra. Both Ti–Ti bond lengths are 2.97 Å.
DOI: 10.17188/1665709
title: Materials Data on K5HfIn(MoO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1665712
title: Materials Data on Li4Ti3V2Ni3O16 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: 10.17188/1665713
title: Materials Data on Li3NiOF3 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: 10.17188/1665714
title: Materials Data on Bi3Te4(ClO2)5 by Materials Project

description: Bi3Te4O10Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. All Bi–O bond lengths are 2.45 Å. Both Bi–Cl bond lengths are 2.69 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.39 Å. Both Bi–Cl bond lengths are 3.20 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.18 Å. There are one shorter (3.14 Å) and two longer (3.24 Å) Te–Cl bond lengths. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Bi3+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Te4+ and one Cl1- atom. The O–Cl bond length is 3.23 Å. In the third O2- site, O2- is bonded in a distorted linear geometry to one Bi3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Bi3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Bi3+ and one Te4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Te4+ atom. In the second Cl1- site, Cl1- is bonded to four equivalent Te4+ and two equivalent O2- atoms to form distorted edge-sharing ClTe4O2 octahedra. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Bi3+ atom.
DOI: 10.17188/1665715
title: Materials Data on Sr4CaYCu4Bi2(PbO8)2 by Materials Project

description: Sr4CaYCu4Bi2(PbO8)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two Sr4CaYCu4Bi2(PbO8)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.00 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.00 Å. Ca2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.57 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.35–2.51 Å. There are two inequivalent Cu+1.75+ sites. In the first Cu+1.75+ site, Cu+1.75+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.46 Å. In the second Cu+1.75+ site, Cu+1.75+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.93–2.31 Å. Pb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.22–2.34 Å. Bi3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.13 Å) Bi–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Cu+1.75+, and one Pb3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Cu+1.75+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb3+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Sr2+, one Pb3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, one Ca2+, one Y3+, and two Cu+1.75+ atoms. In the sixth O2- site, O2- is bonded to two Sr2+, one Ca2+, one Y3+, and two Cu+1.75+ atoms to form distorted corner-sharing OSr2CaYCu2 octahedra. The corner-sharing octahedra tilt angles range from 65–67°. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, one Ca2+, one Y3+, and two Cu+1.75+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, one Ca2+, one Y3+, and two Cu+1.75+ atoms.
DOI: 10.6084/m9.figshare.7731233.v4
title: Bilateral international migration flow estimates for 200 countries (1990-1995 to 2010-2015)

description: Version Details<br>Update of estimates of international migration flows from Abel & Cohen (2019) based on newly published International Migrant Stock (IMS2019) data inputs by the United Nations and the most recent WPP (WPP2019). <br><br>Also includes a correction for the treatment of Serbia, Montenegro, Sudan and South Sudan as separate countries prior to 2005. During 1990-1995, 1995-2000 and 2000-2005 periods there are now 198 countries, where the old three letter alpha numeric codes for Serbia and Montenegro (SCG) and Sudan (SUD) are used. The combination of these countries follows their representation in United Nations migrant stock data. In periods after 2000-2005 there are 200 countries, where Serbia, Montenegro, Sudan and South Sudan are separate (as in the paper and previous versions). A description of the changes in the estimates can be found here.<br>See Version 1 (link above) for estimates presented in the paper, based on WPP2017 and IMS2017.<br>Data Details<br><br>Row for each migration corridor - period combination (198 origins x 198 destinations x 3 periods + 200 origins x 200 destinations x 2 periods = 197,612).<br>year0 - first year of five year periodorig - origin ISO three letter country codedest - destination ISO three letter country<br> Columns for estimates based on the following migration flow estimation methods:<b><br>Stock Differencing Approaches:</b><br><br>sd_drop_neg - see for example Beine, M., Docquier, F., & Özden, Ç. (2011). Diasporas. Journal of Development Economics, 95(1), 30–41. https://doi.org/10.1016/j.jdeveco.2009.11.004<br><br>sd_rev_neg - see for example Beine, M., & Parsons, C. R. (2015). Climatic Factors as Determinants of International Migration. The Scandinavian Journal of Economics, 117(2), 723–767. https://doi.org/10.1111/sjoe.12098<br><br><b>Migration Rate Approach:</b><br><br>mig_rate - see Dennett, A. (2016). Estimating an Annual Time Series of Global Migration Flows - An Alternative Methodology for Using Migrant Stock Data. In Global Dynamics (pp. 125–142). Chichester, UK: John Wiley & Sons, Ltd. https://doi.org/10.1002/9781118937464.ch7<br><br><b>Demographic Accounting Approaches:</b><br><br>da_min_open - see Abel, G. J. (2013). Estimating global migration flow tables using place of birth data. Demographic Research, 28(March), 505–546. https://doi.org/10.4054/DemRes.2013.28.18<br><br>da_min_closed - see Abel, G. J. (2018). Estimates of Global Bilateral Migration Flows by Gender between 1960 and 2015. International Migration Review, (Fall), imre.12327. https://doi.org/10.1111/imre.12327<br><br>da_pb_closed - see Azose, J. J., & Raftery, A. E. (2018). Estimation of emigration, return migration, and transit migration between all pairs of countries. Proceedings of the National Academy of Sciences, 201722334. https://doi.org/10.1073/PNAS.1722334116<br>
DOI: 10.17188/1665718
title: Materials Data on Li2Zr7Fe(PO4)12 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: 10.17188/1665720
title: Materials Data on NiH36(C5N)12 by Materials Project

description: Ni(NH3)6(C)60(NH3)6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six ammonia molecules, one fullerene molecule, and one Ni(NH3)6 cluster. In the Ni(NH3)6 cluster, Ni is bonded in an octahedral geometry to six N atoms. There are a spread of Ni–N bond distances ranging from 2.15–2.19 Å. There are three inequivalent N sites. In the first N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are nine inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N atom. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. In the fifth H site, H is bonded in a single-bond geometry to one N atom. In the sixth H site, H is bonded in a single-bond geometry to one N atom. In the seventh H site, H is bonded in a single-bond geometry to one N atom. In the eighth H site, H is bonded in a single-bond geometry to one N atom. In the ninth H site, H is bonded in a single-bond geometry to one N atom.