Startseite The crystal structure of Ba2Mn(SeO3)2Cl2 containing 1∞[Mn(SeO3)2Cl2]4− chains
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The crystal structure of Ba2Mn(SeO3)2Cl2 containing 1[Mn(SeO3)2Cl2]4− chains

  • Lei Geng ORCID logo EMAIL logo
Veröffentlicht/Copyright: 26. April 2021

Abstract

Ba2Mn(SeO3)2Cl2, orthorhombic, Pnnm (no. 58), a = 6.7685(5) Å, b = 12.8618(10) Å, c = 5.4685(4) Å, V = 476.06(6) Å3, Z = 2, Rgt(F) = 0.0191, wRref(F2) = 0.0854, T = 298(2) K.

CCDC no.: 2076756

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Colorless needle
Size:0.20 × 0.12 × 0.10 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:17.7 mm−1
Diffractometer, scan mode:Bruker D8 QUEST,
θmax, completeness:27.5°, >99%
N(hkl)measured, N(hkl)unique, Rint:6943, 604, 0.047
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 584
N(param)refined:39
Programs:Bruker [1], SHELX [2], WinGX/ORTEP [3]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomxyzUiso*/Ueq
Ba10.30482 (6)0.26921 (3)0.00000.0119 (2)
Mn10.00000.00000.00000.0108 (3)
Se10.76363 (10)0.42182 (4)0.00000.0102 (3)
O10.6103 (5)0.3885 (2)0.2359 (5)0.0140 (6)
O20.9208 (8)0.3220 (4)0.00000.0211 (10)
Cl10.6736 (2)0.10477 (14)0.00000.0183 (4)

Source of material

All reagents used in this synthesis were purchased without further purification. The initial materials of 4 mmol BaCO3 (0.789 g), 2 mmol MnCl2⋅4H2O (0.396 g), and 4 mmol SeO2 (0.444 g) were weighted and loaded in a 23 ml Teflon lining. Two milliliter H2O was then added into the lining and stirred before sealed in an autoclave. The mixture was heated to 463 K in an oven within 2 h, held for four days, and then slowly cooled to room temperature at the rate of 4 K/h. Colorless needle crystals of Ba2Mn(SeO3)2Cl2 were gathered with more than 76% yield after rinse with purified water.

Experimental details

The structure was solved by Direct Methods with SHELXS-97 and further refined with the SHELXL program. All atoms were refined anisotropically without any constraints or restrains.

Comment

Low-dimensional transition metal oxides have attracted great interest in recent years owing to their fundamental and fascinating physical phenomena such as superconductivity, magnetic spin frustration or their use as spin glass [4], [5], [6], [7]. It has been reported that the structural unit SeO3 pyramids with lone-pair electrons can usually be utilized as chemical scissors to terminate further bonding with near units and thus reduce the dimensionality of a structural motif [8], [9], [10]. In addition, partial substitution of oxide with chloride ions on transition metal polyhedron can also prevent the extension of functional units. Thus introducing chlorine into transition metal oxides can serve as an effective strategy to design new low-dimensional structures [11], [12].

Based on the above assumption, our group synthesized two new compounds in the Ba–Zn selenite chloride system: Ba2Zn(SeO3)2Cl2 with one-dimensional and 2D BaZn2(SeO3)2Cl2 with two-dimensional structures [13]. In this research, we attempted to extend the exploration of the Mn isomorph and obtained a new compound: Ba2Mn(SeO3)2Cl2. Similar isomorphic structure can also be found in the corresponding Co compound [14].

The one-dimensional [Mn(SeO3)2Cl2]4− anionic chains with electron balanced Ba2+ cations compose the crystal structures of Ba2Mn(SeO3)2Cl2. MnO4Cl2 octahedra are linked with four SeO3 pyramids through bridging oxygen atoms on MnO4Cl2 (see the figure). Two chloride ions on MnO4Cl2 units protrude from both sides of the MnO4 square with Mn–O and Mn–Cl distances of 2.170 and 2.588 Å, respectively. The Ba cations are surrounded by seven oxygen atoms with an average Ba–O distance of 2.891 Å and three chloride ions with an average Ba–Cl distance of 3.290 Å. Bond valence sums (BVS) were calculated for central cations with the results of BVS(Ba) = 2.04, BVS(Mn) = 2.02, and BVS(Se) = 4.12, which is consistent with the expected valences of 2, 2, and 4 for Ba, Mn, and Se, respectively [15], [16].


Corresponding author: Lei Geng, College of Physics and Physical Engineering, Qufu Normal University, Qufu, 273165, China, E-mail:

Award Identifier / Grant number: ZR2020ME021

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The research was supported by the Shandong Provincial Natural Science Foundation, China (ZR2020ME021).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

References

1. Bruker. SAINT v8.34A; Bruker AXS Inc.: Madison, WI, USA, 2013.Suche in Google Scholar

2. Sheldrick, G. M. A short history of SHELX. Acta Crystallogr. 2008, A64, 112–122; https://doi.org/10.1107/s0108767307043930.Suche in Google Scholar

3. Farrugia, L. J. WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 2012, 45, 849–854; https://doi.org/10.1107/s0021889812029111.Suche in Google Scholar

4. Wu, M. K., Ashburn, J. R., Torng, C. J., Hor, P. H., Meng, R. L., Gao, L., Huang, Z. J., Wang, Y. Q., Chu, C. W. Superconductivity at 93 K in a new mixed-phase Y–Ba–Cu–O compound system at ambient pressure. Phys. Rev. Lett. 1987, 58, 908–910; https://doi.org/10.1103/physrevlett.58.908.Suche in Google Scholar

5. Millet, P., Bastide, B., Pashchenko, V., Gnatchenko, S., Gapon, V., Ksari, Y., Stepanov, A. Syntheses crystal structures and magnetic properties of francisite compounds Cu3Bi(SeO3)2O2X (X = Cl Br and I). J. Mater. Chem. 2001, 11, 1152–1157; https://doi.org/10.1039/b007920k.Suche in Google Scholar

6. Berdonosov, P. S., Kuznetsova, E. S., Dolgikh, V. A. Transition metal selenite halides a fascinating family of magnetic compounds. Crystals 2018, 8, 159.10.3390/cryst8040159Suche in Google Scholar

7. Constable, E., Raymond, S., Petit, S., Ressouche, E., Bourdarot, F., Debray, J., Josse, M., Fabelo, O., Berger, H., deBrion, S., Simonet, V. Magnetic and dielectric order in the kagomelike francisite Cu3Bi(SeO3)2O2Cl. Phys. Rev. B Condens. Matter 2017, B96, 014413.10.1103/PhysRevB.96.014413Suche in Google Scholar

8. Berdonosov, P. S., Olenev, A. V., Kirsanova, M. A., Lebed, J. B., Dolgikh, V. A. Bi6(SeO3)3O5Br2 A new bismuth oxo-selenite bromide. J. Solid State Chem. 2012, 196, 232–237; https://doi.org/10.1016/j.jssc.2012.06.020.Suche in Google Scholar

9. Johnston, M. G., Harrison, W. T. A. New BaM2(SeO3)⋅3H2O (M = Co Ni Mn Mg, n = 3) Zemannite-type frameworks single-crystal structures of BaCo2(SeO3)3⋅3H2O BaMn2(SeO3)3⋅3H2O and BaMg2(SeO3)3⋅3H2O. Eur. J. Inorg. Chem. 2011, 2011, 2967–2974; https://doi.org/10.1002/ejic.201100344.Suche in Google Scholar

10. Geng, L., Wang, H., Li, Q., Lu, H.–Y., Li, G.–B. Synthesis and characterization of a series of transition metal oxychlorides MBi(SeO3)2(H2O)Cl (M = Co Ni Cu). Dalton Trans. 2018, 47, 13466–13471; https://doi.org/10.1039/c8dt02354a.Suche in Google Scholar

11. Wickleder, M. S., Hamida, M. B. CoSm(SeO3)2Cl CuGd(SeO3)2Cl MnSm(SeO3)2Cl CuGd2(SeO3)4 und CuSm2(SeO3)4 Übergangsmetallhaltige Selenite von Samarium und Gadolinum. Z. Anorg. Allg. Chem. 2003, 629, 556–562; https://doi.org/10.1002/zaac.200390090.Suche in Google Scholar

12. Geng, L., Li, Q., Lu, H., Dai, K., Halasyamani, P. S. Sb–Based antiferromagnetic oxychlorides MSb2O3(OH)Cl (M = Mn Fe Co) with 2D spin-dimer structures. Dalton Trans. 2016, 45, 18183–18189; https://doi.org/10.1039/c6dt03609k.Suche in Google Scholar

13. Li, Q., Geng, L., Lu, H.–Y., Dai, K., Cheng, W.–D. Crystal structures and characterizations of two new selenite chlorides 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2. J. Solid State Chem. 2018, 265, 117–122; https://doi.org/10.1016/j.jssc.2018.05.035.Suche in Google Scholar

14. Johnston, M. G., Harrison, W. T. A. Barium cobalt chloride selenite Ba2CoCl2(SeO3)2. Acta Crystallogr. 2002, E58, i49–i51; https://doi.org/10.1107/s1600536802009005.Suche in Google Scholar

15. Brown, I. D., Altermatt, D. Bond-valence parameters obtained from a systematic analysis of the inorganic crystal-structure database. Acta Crystallogr. 1985, B41, 244–247; https://doi.org/10.1107/s0108768185002063.Suche in Google Scholar

16. Brese, N. E., O’Keeffe, M. Bond-valence parameters for solids. Acta Crystallogr. 1991, B47, 192–197; https://doi.org/10.1107/s0108768190011041.Suche in Google Scholar

Received: 2021-03-19
Accepted: 2021-04-12
Published Online: 2021-04-26
Published in Print: 2021-07-27

© 2021 Lei Geng, published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of poly[(μ2-aqua-tetraaqua-(μ3-glutarato-κ4O,O′:O′:O′′)-(μ5-glutarato-κ6O:O,O′:O′:O′′:O′′′)distrontium(II)], C10H22O13Sr2
  4. The crystal structure of acetato-κ1O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2N,N′,O}copper(II), C26H26CuN2O5
  5. Crystal structure of dimethanolato-k2O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2
  6. Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]
  7. Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1N)zinc(II), Zn(C15H24NSi)2
  8. Crystal structure of catena-poly[(μ2-methanolato-κ2O:O)-(μ2-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)-(thiocyanato-κ1N)copper(II)] 0.25 hydrate, C17H16CuN6OS ⋅ 0.5H2O
  9. The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2
  10. The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7
  11. Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C16H16O3
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  13. The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3
  14. The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2
  15. Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2N,O}nickel, C30H32N2NiO2
  16. Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3O:O′:O″)-(phenanthroline-κ2N,N′)sodium(II)], C24H23N2NaO4
  17. Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4
  18. Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O
  19. The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2
  20. Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2
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  23. The crystal structure of Ba2Mn(SeO3)2Cl2 containing 1[Mn(SeO3)2Cl2]4− chains
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  26. Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5
  27. The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C20H19N5O2S
  28. Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO
  29. Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6
  30. The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO
  31. Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C10H16N6O3
  32. Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4
  33. The crystal structure of hexakis(1-propylimidazole-κ1N)copper(II) dichloride, C36H60Cl2CuN12
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  56. Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS
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  59. Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2
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