Inorganic Solid Phases

Pb0.82Na0.18H0.18Zr[Si3O9]·2.85H2O (H0.40Na0.40ZrPb0.60Si3O9[H2O]3) Crystal Structure

General Information

  • Phase Label(s): H0.40Na0.40ZrPb0.60Si3O9[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR51
  • Space Group: 146
  • Phase Prototype: H0.40Na0.40ZrPb0.60Si3O9[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 63 variables; 1190 reflections, R = 0.0221; wR = 0.0481
  • Sample Detail(s): sample prepared from Na2[ZrSi3O9][H2O]3, Pb[NO3]2, electron microprobe analysis; Pb0.73−0.97Si2.99−3.01Zr0.99−1.02Nb0.01−0.02[H2O]2.61−3.10, twinned crystal (determination of cell parameters), twinned crystal, 0.05×0.08×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.18Na0.18ZrPb0.82Si3O9[H2O]2.85
  • Alphabetic Formula: H0.18[H2O]2.85Na0.18O9Pb0.82Si3Zr
  • Published Formula: Pb0.82Na0.18H0.18Zr[Si3O9]·2.85H2O
  • Refined Formula: H5.70Na0.18O11.85Pb0.82Si3Zr
  • Wyckoff Sequence: 146,b5a3
  • Z Formula Units: 3
  • Density: ρ = 3.57 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
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_1223420

  • 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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