Inorganic Solid Phases

[Zn1−xCrx(OH)2][(SO4)x/2.nH2O] (Zn0.68Cr0.32[SO4]0.16[OH]2[H2O]0.67) Crystal Structure

General Information

  • Phase Label(s): Zn0.68Cr0.32[SO4]0.16[OH]2[H2O]0.67
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP26
  • Space Group: 194
  • Phase Prototype: (Zn0.68Cr0.32)[SO4]0.16[OH]2[H2O]0.67
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D501 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.132; RB = 0.061
  • Sample Detail(s): sample prepared from Zn2+, Cr2+, Na2SO4, NaOH, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn0.68Cr0.32[SO4]0.16[OH]2[H2O]0.67
  • Alphabetic Formula: Cr0.32[H2O]0.67[OH]2[SO4]0.16Zn0.68
  • Published Formula: [Zn1−xCrx(OH)2][(SO4)x/2.nH2O]
  • Refined Formula: Cr0.32H3.33O3.33S0.17Zn0.68
  • Wyckoff Sequence: 194,kfe2a
  • Z Formula Units: 2
  • Density: ρ = 2.71 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
2B12 [nm2]
2B13 [nm2]
2B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1410932

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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