cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2611ht
title: CCDC 2026795: Experimental Crystal Structure Determination

description: Related Article: Hong-Rui Tian, Zhong Zhang, Tian-Yi Dang, Shu-Mei Liu, Ying Lu, Shu-Xia Liu|2021|Inorg.Chem.|60|840|doi:10.1021/acs.inorgchem.0c02890
DOI: 10.17188/1696228
title: Materials Data on FeSeO5 by Materials Project

description: FeSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Fe–O bond distances ranging from 1.85–2.09 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–54°. There is two shorter (1.67 Å) and two longer (1.69 Å) Se–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Fe and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Fe and one Se atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Fe atoms.
DOI: 10.5517/ccdc.csd.cc261wcj
title: CCDC 2027597: Experimental Crystal Structure Determination

description: Related Article: Zhengtian Ding, Yiming Wang, Wenfeng Liu, Yate Chen, Wangqing Kong|2020|J.Am.Chem.Soc.|143|53|doi:10.1021/jacs.0c10055
DOI: 10.17188/1696229
title: Materials Data on CaZn2(SiO4)2 by Materials Project

description: CaZn2(SiO4)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with four ZnO4 tetrahedra and corners with six equivalent SiO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.40–2.46 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent CaO6 octahedra, corners with two equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. All Zn–O bond lengths are 1.97 Å. In the second Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with two equivalent CaO6 octahedra, corners with two equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. There is two shorter (1.97 Å) and two longer (1.99 Å) Zn–O bond length. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent CaO6 octahedra, a cornercorner with one SiO4 tetrahedra, and corners with four ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of Si–O bond distances ranging from 1.63–1.69 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Ca and two equivalent Si atoms. In the second O site, O is bonded in a single-bond geometry to one Ca atom. In the third O site, O is bonded in a trigonal planar geometry to two Zn and one Si atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Ca, one Zn, and one Si atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Ca, one Zn, and one Si atom.
DOI: 10.17188/1696230
title: Materials Data on Sm2Sb by Materials Project

description: Sm2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Sm–Sb bond lengths are 3.31 Å. In the second Sm site, Sm is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing SmSb5 square pyramids. There are one shorter (3.20 Å) and four longer (3.28 Å) Sm–Sb bond lengths. Sb is bonded in a 9-coordinate geometry to nine Sm atoms.
DOI: 10.17188/1696231
title: Materials Data on NbV3O8 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: 10.5517/ccdc.csd.cc25yp72
title: CCDC 2024524: Experimental Crystal Structure Determination

description: Related Article: Zhao-Hao Li, Li-Ping Xue, Yun-Jing Mu, Bang-Tun Zhao|2021|CrystEngComm|23|1019|doi:10.1039/D0CE01630F
DOI: 10.5517/ccdc.csd.cc26022d
title: CCDC 2025852: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Gettings, Edward F. C. Byrd, Matthias Zeller, Davin Piercey|2021|New J.Chem.|45|2228|doi:10.1039/D0NJ05354F
DOI: 10.5517/ccdc.csd.cc26859z
title: CCDC 2033640: Experimental Crystal Structure Determination

description: Related Article: Hai-Xia Wu, Xiao-Min Lu, Jia-Yi Chen, Xiao-Gang Yang, Wen-Jing Qin, Lu-Fang Ma|2021|Inorg.Chem.|60|846|doi:10.1021/acs.inorgchem.0c02888
DOI: 10.17188/1696233
title: Materials Data on YbAlPt by Materials Project

description: YbPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Yb–Pt bond distances ranging from 2.96–3.09 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.68 Å. Al is bonded to four equivalent Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra.
DOI: 10.5517/ccdc.csd.cc2687qg
title: CCDC 2033715: Experimental Crystal Structure Determination

description: Related Article: Xue-Ping Chen, Ke-Qiang Hou, Feng Zhou, Albert S. C. Chan, Xiao-Feng Xiong|2021|J.Org.Chem.|86|1667|doi:10.1021/acs.joc.0c02499
DOI: 10.17632/b9drc6h5wc.1
title: Research Data for "The impact of environmental policy stringency on industrial productivity growth: A semi-parametric study of OECD countries"

description: Estimation data and do files for the paper "The impact of environmental policy stringency on industrial productivity growth: A semi-parametric study of OECD countries"
DOI: 10.5517/ccdc.csd.cc2687rh
title: CCDC 2033716: Experimental Crystal Structure Determination

description: Related Article: Xue-Ping Chen, Ke-Qiang Hou, Feng Zhou, Albert S. C. Chan, Xiao-Feng Xiong|2021|J.Org.Chem.|86|1667|doi:10.1021/acs.joc.0c02499
DOI: 10.17188/1696234
title: Materials Data on K30Ga9As19 by Materials Project

description: K30Ga9As19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are ten inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.54–3.58 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.53–3.58 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.53–3.59 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.47–3.56 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.48–3.58 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of K–As bond distances ranging from 3.48–3.58 Å. In the seventh K1+ site, K1+ is bonded in a 6-coordinate geometry to six As3- atoms. All K–As bond lengths are 3.65 Å. In the eighth K1+ site, K1+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.38–3.58 Å. In the ninth K1+ site, K1+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.38–3.58 Å. In the tenth K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (3.46 Å) and one longer (3.53 Å) K–As bond lengths. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.39 Å) and two longer (2.47 Å) Ga–As bond lengths. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.40–2.48 Å. In the third Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.41–2.48 Å. There are seven inequivalent As3- sites. In the first As3- site, As3- is bonded in a 1-coordinate geometry to eight K1+ and one Ga3+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to eight K1+ and one Ga3+ atom. In the third As3- site, As3- is bonded in a 1-coordinate geometry to eight K1+ and one Ga3+ atom. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to six equivalent K1+ atoms. In the fifth As3- site, As3- is bonded in a 2-coordinate geometry to seven K1+ and two Ga3+ atoms. In the sixth As3- site, As3- is bonded in a 2-coordinate geometry to seven K1+ and two Ga3+ atoms. In the seventh As3- site, As3- is bonded in a 2-coordinate geometry to seven K1+ and two Ga3+ atoms.
DOI: 10.5517/ccdc.csd.cc268s5g
title: CCDC 2034225: Experimental Crystal Structure Determination

description: Related Article: Jianguo Liu, Heng Song, Tianlin Wang, Jiong Jia, Qing-Xiao Tong, Chen-Ho Tung, Wenguang Wang|2020|J.Am.Chem.Soc.|143|409|doi:10.1021/jacs.0c11448
DOI: 10.5517/ccdc.csd.cc268s6h
title: CCDC 2034226: Experimental Crystal Structure Determination

description: Related Article: Jianguo Liu, Heng Song, Tianlin Wang, Jiong Jia, Qing-Xiao Tong, Chen-Ho Tung, Wenguang Wang|2020|J.Am.Chem.Soc.|143|409|doi:10.1021/jacs.0c11448
DOI: 10.5517/ccdc.csd.cc268s7j
title: CCDC 2034227: Experimental Crystal Structure Determination

description: Related Article: Jianguo Liu, Heng Song, Tianlin Wang, Jiong Jia, Qing-Xiao Tong, Chen-Ho Tung, Wenguang Wang|2020|J.Am.Chem.Soc.|143|409|doi:10.1021/jacs.0c11448
DOI: 10.17188/1696236
title: Materials Data on La3YTi4O14 by Materials Project

description: La3YTi4O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to eight O2- atoms to form distorted LaO8 hexagonal bipyramids that share edges with two equivalent YO8 hexagonal bipyramids, edges with four equivalent LaO8 hexagonal bipyramids, and edges with six TiO6 octahedra. There are two shorter (2.29 Å) and six longer (2.60 Å) La–O bond lengths. Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent LaO8 hexagonal bipyramids and edges with six equivalent TiO6 octahedra. There are two shorter (2.16 Å) and six longer (2.58 Å) Y–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and edges with six equivalent LaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. All Ti–O bond lengths are 2.00 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent YO8 hexagonal bipyramids, and edges with four equivalent LaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–46°. There is two shorter (1.99 Å) and four longer (2.00 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent La3+ and one Y3+ atom to form corner-sharing OLa3Y tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Y3+, and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Ti4+ atoms.
DOI: 10.17632/k7nt6g9c64.1
title: Phone holder from thingivers V slot version

description: This is appendix file for article publish
DOI: 10.5517/ccdc.csd.cc268s9l
title: CCDC 2034229: Experimental Crystal Structure Determination

description: Related Article: Jianguo Liu, Heng Song, Tianlin Wang, Jiong Jia, Qing-Xiao Tong, Chen-Ho Tung, Wenguang Wang|2020|J.Am.Chem.Soc.|143|409|doi:10.1021/jacs.0c11448
DOI: 10.17188/1696237
title: Materials Data on ZnCdTeSe by Materials Project

description: CdZnSeTe is Stannite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent Te2- and one Se2- atom to form CdTe3Se tetrahedra that share corners with six equivalent CdTe3Se tetrahedra and corners with six equivalent ZnTeSe3 tetrahedra. All Cd–Te bond lengths are 2.79 Å. The Cd–Se bond length is 2.67 Å. Zn2+ is bonded to one Te2- and three equivalent Se2- atoms to form ZnTeSe3 tetrahedra that share corners with six equivalent CdTe3Se tetrahedra and corners with six equivalent ZnTeSe3 tetrahedra. The Zn–Te bond length is 2.67 Å. All Zn–Se bond lengths are 2.61 Å. Te2- is bonded to three equivalent Cd2+ and one Zn2+ atom to form TeZnCd3 tetrahedra that share corners with six equivalent TeZnCd3 tetrahedra and corners with six equivalent SeZn3Cd tetrahedra. Se2- is bonded to one Cd2+ and three equivalent Zn2+ atoms to form SeZn3Cd tetrahedra that share corners with six equivalent TeZnCd3 tetrahedra and corners with six equivalent SeZn3Cd tetrahedra.
DOI: 10.5517/ccdc.csd.cc268sbm
title: CCDC 2034230: Experimental Crystal Structure Determination

description: Related Article: Jianguo Liu, Heng Song, Tianlin Wang, Jiong Jia, Qing-Xiao Tong, Chen-Ho Tung, Wenguang Wang|2020|J.Am.Chem.Soc.|143|409|doi:10.1021/jacs.0c11448
DOI: 10.17188/1696238
title: Materials Data on DyB4(IrRh)2 by Materials Project

description: DyB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ir, six equivalent Rh, and twelve B atoms. There are two shorter (2.99 Å) and four longer (3.20 Å) Dy–Ir bond lengths. There are two shorter (2.97 Å) and four longer (3.20 Å) Dy–Rh bond lengths. There are a spread of Dy–B bond distances ranging from 3.05–3.16 Å. Ir is bonded in a 12-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.27 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, three equivalent Ir, two equivalent Rh, and one B atom. The B–B bond length is 1.84 Å. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Ir, three equivalent Rh, and one B atom. The B–B bond length is 1.83 Å.
DOI: 10.5517/ccdc.csd.cc26b57z
title: CCDC 2035560: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Gettings, Edward F. C. Byrd, Matthias Zeller, Davin Piercey|2021|New J.Chem.|45|2228|doi:10.1039/D0NJ05354F
DOI: 10.17632/pb9r7d2dgh.1
title: Phone holder from Thingivers V slot version - Stl file

description: This is STL file for phone holder from Thingivers V slot version
DOI: 10.17188/1696239
title: Materials Data on KLi2O3 by Materials Project

description: KLi2O3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.77–3.11 Å. Li is bonded to four O atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to one K and four equivalent Li atoms. In the second O site, O is bonded in a 2-coordinate geometry to three equivalent K and two equivalent Li atoms. In the third O site, O is bonded in a 2-coordinate geometry to three equivalent K and two equivalent Li atoms.
DOI: 10.5517/ccdc.csd.cc26b6qh
title: CCDC 2035606: Experimental Crystal Structure Determination

description: Related Article: Xue Min, Hong-rui Tian, Ming Li, Di Tian|2021|CrystEngComm|23|876|doi:10.1039/D0CE01508C
DOI: 10.5517/ccdc.csd.cc26b6rj
title: CCDC 2035607: Experimental Crystal Structure Determination

description: Related Article: Xue Min, Hong-rui Tian, Ming Li, Di Tian|2021|CrystEngComm|23|876|doi:10.1039/D0CE01508C
DOI: 10.17188/1696240
title: Materials Data on BH 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: 10.5517/ccdc.csd.cc26b6sk
title: CCDC 2035608: Experimental Crystal Structure Determination

description: Related Article: Xue Min, Hong-rui Tian, Ming Li, Di Tian|2021|CrystEngComm|23|876|doi:10.1039/D0CE01508C
DOI: 10.5517/ccdc.csd.cc26b6tl
title: CCDC 2035609: Experimental Crystal Structure Determination

description: Related Article: Xue Min, Hong-rui Tian, Ming Li, Di Tian|2021|CrystEngComm|23|876|doi:10.1039/D0CE01508C
DOI: 10.17188/1696241
title: Materials Data on Mn2Cr3Co3O16 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: 10.17188/1696242
title: Materials Data on InFe29O40 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/t3pppkrwvk.1
title: Adults Reaching Kinematics in Virtual Environment

description: The research question is to examine the effects of object size (large vs small) and task goal (reach at a comfortable pace vs reach as fast as possible) in the virtual environment. Forty-one healthy adults participated in virtual bubble-popping games that ran on our virtual reality platform (SuperPop VR), which can precisely measure reaching kinematics (movement time, straightness, jerkiness, and speed). Participants began with their dominant hand for each condition and alternated hands after each condition was tested three times. A repeated ANOVA was used for analyses. Reaches for small bubbles had longer duration, faster speed, and jerkier with more curved trajectories than reaches for large bubbles; reaches for small bubbles also had larger elbow and shoulder range of motion than reaches for large bubbles. In addition, reaches during participants’ comfortable pace had longer duration, slower speed, and larger shoulder range of motion than reaches during their fast pace. Additionally, participants’ non-dominant hands had faster speed than their dominant hands. Our findings confirmed that object size and task goals affected reaching kinematics even during VR games.
DOI: 10.17188/1696243
title: Materials Data on Rb2NaPrI6 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: 10.25505/fiz.icsd.cc26f5ys
title: CSD 2038465: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E
DOI: 10.17188/1696244
title: Materials Data on TaFe4Si by Materials Project

description: TaFe4Si crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ta is bonded in a 1-coordinate geometry to twelve Fe and one Si atom. There are a spread of Ta–Fe bond distances ranging from 2.74–2.86 Å. The Ta–Si bond length is 2.73 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Fe and six equivalent Si atoms to form FeFe6Si6 cuboctahedra that share corners with twelve equivalent FeTa3Fe6Si3 cuboctahedra, edges with six equivalent FeFe6Si6 cuboctahedra, and faces with twenty FeTa6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.32 Å. All Fe–Si bond lengths are 2.80 Å. In the second Fe site, Fe is bonded to six equivalent Ta and six equivalent Fe atoms to form FeTa6Fe6 cuboctahedra that share corners with twelve equivalent FeTa3Fe6Si3 cuboctahedra, edges with six equivalent FeTa6Fe6 cuboctahedra, and faces with twenty FeFe6Si6 cuboctahedra. All Fe–Fe bond lengths are 2.39 Å. In the third Fe site, Fe is bonded to three equivalent Ta, six Fe, and three equivalent Si atoms to form FeTa3Fe6Si3 cuboctahedra that share corners with eighteen FeFe6Si6 cuboctahedra, edges with six equivalent FeTa3Fe6Si3 cuboctahedra, and faces with eighteen FeFe6Si6 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.45 Å) Fe–Fe bond lengths. There are one shorter (2.64 Å) and two longer (2.77 Å) Fe–Si bond lengths. Si is bonded in a 1-coordinate geometry to one Ta and twelve Fe atoms.
DOI: 10.25505/fiz.icsd.cc26f5zt
title: CSD 2038466: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E
DOI: 10.25505/fiz.icsd.cc26f60w
title: CSD 2038467: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E
DOI: 10.17188/1696245
title: Materials Data on CsFeBr4 by Materials Project

description: CsFeBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–4.12 Å. Fe3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Fe–Br bond distances ranging from 2.34–2.36 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Fe3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Fe3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.
DOI: 10.25505/fiz.icsd.cc26f61x
title: CSD 2038468: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E
DOI: 10.25505/fiz.icsd.cc26f62y
title: CSD 2038469: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E
DOI: 10.25505/fiz.icsd.cc26f63z
title: CSD 2038470: Experimental Crystal Structure Determination

description: Related Article: Vladislav V. Klepov, Vancho Kocevski, Theodore M. Besmann, Hans-Conrad zur Loye|2021|CrystEngComm|23|831|doi:10.1039/D0CE01524E