cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1696187
title: Materials Data on Pr2CuSi3Rh2 by Materials Project

description: Pr2Rh2CuSi3 crystallizes in the orthorhombic Amm2 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 four Rh, two equivalent Cu, and eight Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. Both Pr–Cu bond lengths are 3.15 Å. There are four shorter (3.16 Å) and four longer (3.19 Å) Pr–Si bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four Rh, four equivalent Cu, and six Si atoms. There are two shorter (3.26 Å) and two longer (3.29 Å) Pr–Rh bond lengths. All Pr–Cu bond lengths are 3.16 Å. There are two shorter (3.15 Å) and four longer (3.19 Å) Pr–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edge and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded to four Pr and four Si atoms to form a mixture of distorted edge and face-sharing RhPr4Si4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.44 Å) Rh–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr and three Si atoms. There are two shorter (2.37 Å) and one longer (2.43 Å) Cu–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Si atom. The Si–Si bond length is 2.45 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Cu atom. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Rh, and one Si atom.
DOI: 10.17188/1696188
title: Materials Data on Li2VFe(P2O7)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: 10.17632/snf8sjg23c.1
title: One_erath_20-00064

description: This dataset shows the PM2.5 concentration for 367 major cities in China calculated by the reduced-form model which removes the confounding meteorological effects. The data evaluates the PM2.5 reduction for 2013-2019 and provides the future prediction for 2035 assuming that the current controlling efforts will continue.
DOI: 10.17188/1696189
title: Materials Data on CeAlCu4 by Materials Project

description: CeCu4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Cu and four equivalent Al atoms. There are a spread of Ce–Cu bond distances ranging from 2.93–3.31 Å. All Ce–Al bond lengths are 3.34 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent Cu, and two equivalent Al atoms. All Cu–Cu bond lengths are 2.57 Å. Both Cu–Al bond lengths are 2.56 Å. In the second Cu site, Cu is bonded to four equivalent Ce, six Cu, and two equivalent Al atoms to form distorted CuCe4Al2Cu6 cuboctahedra that share corners with four equivalent AlCe4Cu8 cuboctahedra, corners with twelve equivalent CuCe4Al2Cu6 cuboctahedra, edges with four equivalent AlCe4Cu8 cuboctahedra, edges with six equivalent CuCe4Al2Cu6 cuboctahedra, faces with four equivalent AlCe4Cu8 cuboctahedra, and faces with six equivalent CuCe4Al2Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.60 Å. Both Cu–Al bond lengths are 2.56 Å. Al is bonded to four equivalent Ce and eight Cu atoms to form distorted AlCe4Cu8 cuboctahedra that share corners with eight equivalent CuCe4Al2Cu6 cuboctahedra, corners with eight equivalent AlCe4Cu8 cuboctahedra, edges with two equivalent AlCe4Cu8 cuboctahedra, edges with eight equivalent CuCe4Al2Cu6 cuboctahedra, faces with two equivalent AlCe4Cu8 cuboctahedra, and faces with eight equivalent CuCe4Al2Cu6 cuboctahedra.
DOI: 10.17188/1696190
title: Materials Data on Li2V3CoO8 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: 10.17188/1696191
title: Materials Data on Tb2B6Ru by Materials Project

description: Tb2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to fourteen B2- atoms. There are a spread of Tb–B bond distances ranging from 2.74–2.82 Å. In the second Tb3+ site, Tb3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing TbB12 cuboctahedra. There are a spread of Tb–B bond distances ranging from 2.62–2.65 Å. Ru6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Ru–B bond distances ranging from 2.35–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Tb3+, two equivalent Ru6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.85 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Ru6+, and three B2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Ru6+, and three B2- atoms. There is one shorter (1.73 Å) and one longer (1.89 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Ru6+, and three B2- atoms. Both B–B bond lengths are 1.79 Å. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Tb3+, two equivalent Ru6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to six Tb3+ and three B2- atoms. The B–B bond length is 2.18 Å.
DOI: 10.17188/1696192
title: Materials Data on MnCSO7 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: 10.17632/r3wpkr2brx.3
title: Data for: Optimizing solar access for high-rise residential buildings in high density urban tropics

description: Using parametric modelling, shading effects of 300 urban contexts in four cardinal directions were simulated for simulation models of 11, 21 and 31 floors representing high density, high-rise residential buildings located in Colombo, Sri Lanka. Effects of contextual shading, on cooling energy to mitigate external heat gain (CE), day time lighting energy (LE), solar radiation density (SRD) and spatial daylight autonomy (sDA) was simulated using Rhino5 with DIVA and Archsim plugins.
DOI: 10.17188/1696193
title: Materials Data on Bi4(SeS)3 by Materials Project

description: Bi4(SeS)3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to three Se2- and four S2- atoms. There are one shorter (2.75 Å) and two longer (3.11 Å) Bi–Se bond lengths. There are two shorter (2.77 Å) and two longer (3.52 Å) Bi–S bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five Se2- and two equivalent S2- atoms. There are a spread of Bi–Se bond distances ranging from 2.75–3.10 Å. Both Bi–S bond lengths are 3.48 Å. In the third Bi3+ site, Bi3+ is bonded to two equivalent Se2- and four S2- atoms to form distorted edge-sharing BiSe2S4 octahedra. Both Bi–Se bond lengths are 3.14 Å. There are a spread of Bi–S bond distances ranging from 2.71–3.02 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to four Se2- and three S2- atoms. There are a spread of Bi–Se bond distances ranging from 2.88–3.53 Å. There are two shorter (2.71 Å) and one longer (2.99 Å) Bi–S bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the second Se2- site, Se2- is bonded to five Bi3+ atoms to form distorted edge-sharing SeBi5 square pyramids. In the third Se2- site, Se2- is bonded to five Bi3+ atoms to form distorted edge-sharing SeBi5 square pyramids. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to five Bi3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five Bi3+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms.
DOI: 10.17188/1696194
title: Materials Data on Rb2TlCoF6 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: 10.17188/1696195
title: Materials Data on Li2VO3 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: 10.17188/1696196
title: Materials Data on CsBH4 by Materials Project

description: CsBH4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q4 geometry to twelve equivalent H+0.50+ atoms. All Cs–H bond lengths are 3.18 Å. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent Cs1+ and one B3- atom.
DOI: 10.17188/1696197
title: Materials Data on BeO2 by Materials Project

description: BeO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Be is bonded to four O atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.66 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Be atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Be atoms.
DOI: 10.17188/1696198
title: Materials Data on LaNiSb2 by Materials Project

description: LaNiSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are four shorter (3.34 Å) and four longer (3.40 Å) La–Sb bond lengths. Ni2+ is bonded to four equivalent Sb+2.50- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.56 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.14 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Ni2+ atoms.
DOI: 10.17188/1696199
title: Materials Data on Cu4IBr3 by Materials Project

description: Cu4IBr3 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six Br1- atoms to form a mixture of edge and corner-sharing CuBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (2.70 Å) and three longer (2.73 Å) Cu–Br bond lengths. In the second Cu1+ site, Cu1+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form a mixture of edge and corner-sharing CuI3Br3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. All Cu–I bond lengths are 2.76 Å. All Cu–Br bond lengths are 2.75 Å. I1- is bonded to six equivalent Cu1+ atoms to form ICu6 octahedra that share corners with six equivalent BrCu6 octahedra, edges with six equivalent ICu6 octahedra, and edges with six equivalent BrCu6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six Cu1+ atoms to form BrCu6 octahedra that share corners with three equivalent ICu6 octahedra, corners with three equivalent BrCu6 octahedra, edges with three equivalent ICu6 octahedra, and edges with nine BrCu6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Br1- site, Br1- is bonded to six equivalent Cu1+ atoms to form a mixture of edge and corner-sharing BrCu6 octahedra. The corner-sharing octahedral tilt angles are 1°.
DOI: 10.17188/1696200
title: Materials Data on CsIrN2 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: 10.17188/1696201
title: Materials Data on Co3Ir by Materials Project

description: IrCo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded to twelve equivalent Co atoms to form IrCo12 cuboctahedra that share corners with twelve equivalent IrCo12 cuboctahedra, edges with twenty-four equivalent CoCo8Ir4 cuboctahedra, faces with six equivalent IrCo12 cuboctahedra, and faces with twelve equivalent CoCo8Ir4 cuboctahedra. All Ir–Co bond lengths are 2.53 Å. Co is bonded to four equivalent Ir and eight equivalent Co atoms to form CoCo8Ir4 cuboctahedra that share corners with twelve equivalent CoCo8Ir4 cuboctahedra, edges with eight equivalent IrCo12 cuboctahedra, edges with sixteen equivalent CoCo8Ir4 cuboctahedra, faces with four equivalent IrCo12 cuboctahedra, and faces with fourteen equivalent CoCo8Ir4 cuboctahedra. All Co–Co bond lengths are 2.53 Å.
DOI: 10.17632/mfdmmyjf4m.1
title: JHR-01-2021-0067 Data Set on Exploring Healthcare Status of the Urban Poor in Chittagong City, Bangladesh

description: Table II: Perception of the current healthcare status of slum dwellers in CC (respondents’ types based). Table III: Perception of the current healthcare status of slum dwellers in CC (study site based) Note: All three types of respondents’ opinions merged and included in their respective study sites. The calculation was done based on each variable and the percentage is represented based on their area total and the total of their portion. The calculation could count column-wise of respective variables. Table V: Perception of the prevailing healthcare problems (respondents’ types based) Table VI: Prevailing healthcare problems (study site based) Note: All three types of respondents’ opinions merged and included in their respective study sites. The calculation was done based on each variable and the percentage is represented based on their area total and the total of their portion. The calculation could count column-wise of their respective variable. Table VII: Perception on the way out of healthcare problems in the urban slum dwellers (respondents’ types based) Table VIII: Way out of healthcare problems in the urban slum dwellers (study site based) Note: All three types of respondents’ opinions merged and included in their respective study sites. The calculation was done based on each variable and the percentage is represented rest on their area total and the overall of their portion. The calculation could count column-wise of their respective variable.
DOI: 10.5517/ccdc.csd.cc23x8fr
title: CCDC 1963584: Experimental Crystal Structure Determination

description: Related Article: Muhammad Naeem Ahmed, Muneeba Arif, Hina Andleeb, Syed Wadood Ali Shah, Ifzan Arshad, Muhammad Nawaz Tahir, Mariana Rocha, Diego M. Gil|2021|CrystEngComm|23|955|doi:10.1039/D0CE01402H
DOI: 10.17188/1696202
title: Materials Data on C by Materials Project

description: C is beta Tridymite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent C sites. In the first C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.45 Å) and two longer (1.64 Å) C–C bond length. In the second C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.22 Å.
DOI: 10.5517/ccdc.csd.cc23zn5y
title: CCDC 1965870: Experimental Crystal Structure Determination

description: Related Article: Víctor Varela-Izquierdo, Ana M. Geer, Janeth Navarro, José A. López, Miguel A. Ciriano, Cristina Tejel|2020|J.Am.Chem.Soc.|143|349|doi:10.1021/jacs.0c11010
DOI: 10.17188/1696203
title: Materials Data on LiFeO3 by Materials Project

description: LiFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Li–O bond lengths are 2.67 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.89 Å. O is bonded in a linear geometry to four equivalent Li and two equivalent Fe atoms.
DOI: 10.17188/1696204
title: Materials Data on Th6Cd23 by Materials Project

description: Th6Cd23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Th and twelve Cd atoms. All Th–Th bond lengths are 3.87 Å. There are a spread of Th–Cd bond distances ranging from 3.36–3.63 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Th and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.33 Å. In the second Cd site, Cd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the third Cd site, Cd is bonded to four equivalent Th and eight Cd atoms to form a mixture of face and corner-sharing CdTh4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to three equivalent Th and ten Cd atoms. All Cd–Cd bond lengths are 3.39 Å.
DOI: 10.17632/c5m9csc7fk.2
title: A dataset of banana subsector in Hetauda-Dumkibas corridor

description: This data was collected from 160 producers and 22 traders engaged in the banana subsector of the Hetauda-Dumkibas road corridor. The survey was conducted in 2019 AD.
DOI: 10.17188/1696207
title: Materials Data on Na2CrN2 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: 10.17632/k24w7vwrv6.3
title: AFES-Venus-cloud

description: The data products derived and presented in the manuscript of "Venusian cloud distribution simulated by a general circulation model" to Journal of Geophysical Research - Planets. *.grd file is grads format file and *.ctl file is control file of grads data. The detail of the data is given by Sugimoto et al. (2014a and 2014b) and Takagi et al. (2018).
DOI: 10.5517/ccdc.csd.cc252nb8
title: CCDC 1998549: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.17188/1696208
title: Materials Data on Er2Al4NiGe2 by Materials Project

description: Er2NiAl4Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Er–Al bond lengths are 3.08 Å. There are one shorter (2.89 Å) and four longer (2.95 Å) Er–Ge bond lengths. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.44 Å. Al is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Al atoms.
DOI: 10.5517/ccdc.csd.cc252nc9
title: CCDC 1998550: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.5517/ccdc.csd.cc252ndb
title: CCDC 1998551: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.5517/ccdc.csd.cc252nfc
title: CCDC 1998552: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.5517/ccdc.csd.cc252ngd
title: CCDC 1998553: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.5517/ccdc.csd.cc252nhf
title: CCDC 1998554: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.17188/1696210
title: Materials Data on ZrN3F7 by Materials Project

description: (Zr(NF2)3)2F2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Zr(NF2)3 framework. In the Zr(NF2)3 framework, Zr4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Zr–F bond lengths are 2.04 Å. N1+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.77 Å. F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one N1+ atom.
DOI: 10.5517/ccdc.csd.cc252njg
title: CCDC 1998555: Experimental Crystal Structure Determination

description: Related Article: Tian Xing, Timothy J. Prior, Mark R. J. Elsegood, Nina V. Semikolenova, Igor E. Soshnikov, Konstantin Bryliakov, Kai Chen, Carl Redshaw|2021|Cat.Sci.Tech.|11|624|doi:10.1039/D0CY01979H
DOI: 10.5517/ccdc.csd.cc252vx1
title: CCDC 1998753: Experimental Crystal Structure Determination

description: Related Article: Wided Hagui, Marie Cordier, Julien Boixel, Jean-François Soulé|2021|Chem.Commun.|57|1038|doi:10.1039/D0CC07307E
DOI: 10.5517/ccdc.csd.cc25f492
title: CCDC 2008623: Experimental Crystal Structure Determination

description: Related Article: Alejandro Cervantes-Reyes, Kaveh Farshadfar, Matthias Rudolph, Frank Rominger, Thomas Schaub, Alireza Ariafard, A. Stephen K. Hashmi|2021|Green Chemistry|23|889|doi:10.1039/D0GC03990J