Inorganic Solid Phases

α-Zr(HPO4)2·H2O (H2Zr[PO4]2[H2O], p = 10.04 GPa) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): H2Zr[PO4]2[H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP48
  • Space Group: 14
  • Phase Prototype: H2Zr[PO4]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Cheshire, Daresbury Synchrotron Radiation Source, 9.5 station (determination of structural parameters), X-rays, synchrotron; λ = 0.0444 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters), p = 10.04 GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 44 variables; 472 reflections, RP = 0.0082; wRP = 0.0117; RB = 0.14837
  • Sample Detail(s): sample prepared from H3PO4, ZrOCl2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2Zr[PO4]2[H2O]
  • Alphabetic Formula: H2[H2O][PO4]2Zr
  • Published Formula: α-Zr(HPO4)2·H2O
  • Refined Formula: H4O9P2Zr
  • Wyckoff Sequence: 14,e12
  • Z Formula Units: 4
  • Density: ρ = 3.58 Mg·m−3
View 3D Interactive Structure

Cite this page

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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1236682

  • 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

    Download this citation

    Citation copied