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Neutron powder diffraction on monoclinic Li2CrCl4

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 211 Issue 1

Abstract

The crystal structures of the room-temperature polymorphs of Li2CrCl4 and Li-deficient Li1.5Cr1.25Cl4, and of CrCl2 were determined by neutron powder diffraction studies using Rietveld's method. The refinements converged to final RI = 7.8%, 5.1% and 7.5%, respectively. Li2CrCl4 (and Li1.5Cr1.25Cl4) crystallize in a hitherto unknown deficient rocksalt superstructure with the space group C2/m (Z = 2). The vibrational modes of the Raman allowed lattice vibrations are given. The monoclinic distortion of the chromium compound is caused by the Jahn-Teller behavior of Cr2+. Li2CrCl4mC14, which is metastable at ambient temperature as shown from cohesive-energy (MAPLE) calculations, decomposes below 585 K to LiCl and CrCl2 via Li deficient Li2−2xCr1+xCl4.

Published Online: 2010-7-28
Published in Print: 1996-1-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. Two 3-periodic self-intersecting minimal surfaces related to the Cr3Si structure type
  2. Die Kristallstrukturen der Verbindungen La2Ge3O9 und Ce2Ge3O9 und ihre strukturelle Verwandtschaft zum Törnebohmit-Typ RE2Al(SiO4)2(OH)
  3. Neutron powder diffraction on monoclinic Li2CrCl4
  4. Rietveld structure refinement of synthetic magnesium substituted β-tricalcium phosphate
  5. The crystal structure of the ternary alloy c-Al68Pd20Ru12
  6. Short Cr3+ –Cr3+ distances in magnetoplumbite type SrCr9Ga3O19
  7. Crystal structure analysis of some mesogenic cyanoazines
  8. The structure of ergot alkaloid hydroxyergotamine
  9. Crystal and molecular structure of sodium dodecyl(oxyethylene)sulfate hydrate
  10. Crystal structure of trimethylammonium tribromostannate(II), (CH3)3NHSnBr3
  11. Crystal structure of dimethylammonium tribromostannate(II), (CH3)2NH2SnBr3
  12. Crystal structure of dimethylammonium triiodostannate(II), (CH3)2NH2SnI3
  13. Crystal structure of thallium triindium pentasulfide, TlIn3S5
  14. Crystal structure of thallium pentaindium octasulfide, TlIn5S8
  15. Crystal structures of thallium pentaindium heptasulfide, TlIn5S7 and thallium pentaindium heptaselenide, TlIn5Se7
  16. Crystal structure of hexabarium di-μ-phosphido-bis(diphosphidogallate(III)), Ba6[Ga2P6]
  17. Crystal structure of lithium tetrastrontium tris(dinitridoborate), LiSr4(BN2)3
  18. Crystal structure of 5,13,20,28-tetraazoniaheptacyclo-[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-2,4,7,9,11(38),13,15,17,19,22,24,26(33),28,30,31,34,35,39-octadecaen tetrakis(fluoroborate) monohydrate, (C36H32N4)(BF4)4(H2O)
  19. Crystal structure of 1,3-diethyl-4,5dimethyl-imidazolium disulfate, (C2H5)4(CH3)4(C3N2H)2(S2O7)
  20. Crystal structure of [η2-bis(trimethylsilyl)acetylene][η2-bis(di-tert-butylphosphino)methane]nickel(0), ((CH3)3Si)2C2((C4H9)2P)2CH2Ni
  21. Crystal structure of cis-chloromethyl[η2-bis(di-tert-butylphosphino)-methane]nickel(II), ((C4H9)2P)2CH2NiCH3Cl
  22. Crystal structure of dicarbonyl[η2-bis(di-tert-butylphosphino)-methane]nickel(0), ((C4H9)2P)2CH2Ni(CO)2
  23. Crystal structure of di-μ-chloro-bis(η4-norbornadienerhodium), (C7H8Rh)2Cl2
  24. Crystal structure of 5,5′-dimethoxy-3,3′-diphenyl-6,6′-bi-1,2,4-triazine, (NNCCNC)(NNCNCC)(C6H5)2(OCH3)2
  25. Crystal structure of 1-aminopyrazole-3-diethylcarboxamide, NNCHCHC(NH2)CON(CH2CH3)2
  26. Crystal structure of 1-[(2-bromo-3-quinolinyl)methyl]-3-methoxycarbonylpyridinium bromide methanol, C17H14N2O2Br2 (CH3OH)
  27. Crystal structure of taondiolmonoacetate, C29H42O4
https://doi.org/10.1524/zkri.1996.211.1.8

Articles in the same Issue

  1. Two 3-periodic self-intersecting minimal surfaces related to the Cr3Si structure type
  2. Die Kristallstrukturen der Verbindungen La2Ge3O9 und Ce2Ge3O9 und ihre strukturelle Verwandtschaft zum Törnebohmit-Typ RE2Al(SiO4)2(OH)
  3. Neutron powder diffraction on monoclinic Li2CrCl4
  4. Rietveld structure refinement of synthetic magnesium substituted β-tricalcium phosphate
  5. The crystal structure of the ternary alloy c-Al68Pd20Ru12
  6. Short Cr3+ –Cr3+ distances in magnetoplumbite type SrCr9Ga3O19
  7. Crystal structure analysis of some mesogenic cyanoazines
  8. The structure of ergot alkaloid hydroxyergotamine
  9. Crystal and molecular structure of sodium dodecyl(oxyethylene)sulfate hydrate
  10. Crystal structure of trimethylammonium tribromostannate(II), (CH3)3NHSnBr3
  11. Crystal structure of dimethylammonium tribromostannate(II), (CH3)2NH2SnBr3
  12. Crystal structure of dimethylammonium triiodostannate(II), (CH3)2NH2SnI3
  13. Crystal structure of thallium triindium pentasulfide, TlIn3S5
  14. Crystal structure of thallium pentaindium octasulfide, TlIn5S8
  15. Crystal structures of thallium pentaindium heptasulfide, TlIn5S7 and thallium pentaindium heptaselenide, TlIn5Se7
  16. Crystal structure of hexabarium di-μ-phosphido-bis(diphosphidogallate(III)), Ba6[Ga2P6]
  17. Crystal structure of lithium tetrastrontium tris(dinitridoborate), LiSr4(BN2)3
  18. Crystal structure of 5,13,20,28-tetraazoniaheptacyclo-[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-2,4,7,9,11(38),13,15,17,19,22,24,26(33),28,30,31,34,35,39-octadecaen tetrakis(fluoroborate) monohydrate, (C36H32N4)(BF4)4(H2O)
  19. Crystal structure of 1,3-diethyl-4,5dimethyl-imidazolium disulfate, (C2H5)4(CH3)4(C3N2H)2(S2O7)
  20. Crystal structure of [η2-bis(trimethylsilyl)acetylene][η2-bis(di-tert-butylphosphino)methane]nickel(0), ((CH3)3Si)2C2((C4H9)2P)2CH2Ni
  21. Crystal structure of cis-chloromethyl[η2-bis(di-tert-butylphosphino)-methane]nickel(II), ((C4H9)2P)2CH2NiCH3Cl
  22. Crystal structure of dicarbonyl[η2-bis(di-tert-butylphosphino)-methane]nickel(0), ((C4H9)2P)2CH2Ni(CO)2
  23. Crystal structure of di-μ-chloro-bis(η4-norbornadienerhodium), (C7H8Rh)2Cl2
  24. Crystal structure of 5,5′-dimethoxy-3,3′-diphenyl-6,6′-bi-1,2,4-triazine, (NNCCNC)(NNCNCC)(C6H5)2(OCH3)2
  25. Crystal structure of 1-aminopyrazole-3-diethylcarboxamide, NNCHCHC(NH2)CON(CH2CH3)2
  26. Crystal structure of 1-[(2-bromo-3-quinolinyl)methyl]-3-methoxycarbonylpyridinium bromide methanol, C17H14N2O2Br2 (CH3OH)
  27. Crystal structure of taondiolmonoacetate, C29H42O4
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