Inorganic Solid Phases

Na2Zr[Si6O12(OH)6]·0.5NaOH (Na2.5[H3O]0.5ZrSi6O13[OH]5) Crystal Structure

General Information

  • Phase Label(s): Na2.5[H3O]0.5ZrSi6O13[OH]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lovozerite
  • Pearson Symbol: mS56
  • Space Group: 5
  • Phase Prototype: Na2(Na0.5[H3O]0.5)ZrSi6O12(O0.17[OH]0.83)6
  • Measurement Detail(s): oscillation and rotation photographs (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Cu Kα, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, trial-and-error; 311 reflections; I > 0σ(I)
  • Sample Detail(s): lovozerite sample from Russia, Kola Peninsula, sample prepared from lovozerite, chemical analysis; rare-earth detected; 12.4 wt.% Na, 55.6 wt.% SiO2, 8.23 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2.5[H3O]0.5ZrSi6O13[OH]5
  • Alphabetic Formula: [H3O]0.5Na2.5O13[OH]5Si6Zr
  • Published Formula: Na2Zr[Si6O12(OH)6]·0.5NaOH
  • Refined Formula: H6.50Na2.50O18.50Si6Zr
  • Wyckoff Sequence: 5,c12b3a
  • Z Formula Units: 2
  • Density: ρ = 2.63 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1503783

  • 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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