Inorganic Solid Phases

β-Zr(OH)2(NO3)2·H2O (Zr[NO3]2[OH]2[H2O] tricl1) Crystal Structure

General Information

  • Phase Label(s): Zr[NO3]2[OH]2[H2O] tricl1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP48
  • Space Group: 2
  • Phase Prototype: Zr[NO3]2[OH]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 45 variables; 1315 reflections, RP = 0.133; wRP = 0.168; RB = 0.147
  • Sample Detail(s): sample prepared from Zr[OH]2[NO3]2[H2O]1.65, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zr[NO3]2[OH]2[H2O]
  • Alphabetic Formula: [H2O][NO3]2[OH]2Zr
  • Published Formula: β-Zr(OH)2(NO3)2·H2O
  • Refined Formula: H4N2O9Zr
  • Wyckoff Sequence: 2,i24
  • Z Formula Units: 4
  • Density: ρ = 2.48 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

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1409958

  • 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)

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