Ice V and XIII

Ice V and XIII

  • can be formed by slowly cooling liquid water at ~ 5 kbar from 20 °C to – 20 °C
  • density: 1.23 g/cm3

Structural features

  • Ice V is a proton-disordered phase
  • the analogous proton-ordered phase is Ice XIII
  • all water molecules are hydrogen-bonded to four others, two as donor and two as acceptor, at distances of 2.76 to 2.87 Å
  • the coordination tetrahedra are largely distorted with angles ranging from 84 to 128°.
  • Ice V contains 4,- 5-, 6-, and 7-membered rings
  • Space group: A2/a (No. 15)
  • Crystal system: monoclinic
  • Lattice parameters:
    • a = 9.22(2) Å, b = 7.54(1) Å, c = 10.35(2) Å
    • α = γ = 90°, β =109.2(2)°
    • 28 molecules per unit cell

 Here, you can download the CIF.

Literature:

[1] B. Kamb, A. Prakash, C. Knobler, Structure of Ice V, Acta Cryst. 1967, 22, 706-715. DOI: 10.1107/S0365110X67001409

Atomistic structure figures were created with

VESTA
K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data,” J. Appl. Crystallogr., 44, 1272-1276 (2011).

3 thoughts on “Ice V and XIII

  1. Sanjeet Kumar

    Excuse me, Sir
    Can we generate shape of crystal structure. Like Garnets ferrite and spinel ferrite with the help of VEST software without rietveld refinement.

    Reply
    1. Sanjeet Kumar

      Thank you, Sir
      For your response, I have see some lectures on YouTube. It’s really a fascinating. About Crystallography. I have doing structural modelling with help of FullProf Suite Software (Rietveld Refinement) to create CIF file via FullProf suite after upload the file in VESTA software as well as using powder cell software too. I m doing PhD right now after that I want to do Post Doct. If any notification has been display in your esteem please notify me sir.

      Reply

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