Inorganic Solid Phases

(Na,H2O,☐)3(☐,Na,Mn2+)Zr[Si6O12(OH)3(OH,O)3] (Na2.5ZrMn0.15Si6O12.8[OH]5.2[H2O]0.45) Crystal Structure

General Information

  • Phase Label(s): Na2.5ZrMn0.15Si6O12.8[OH]5.2[H2O]0.45
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lovozerite
  • Pearson Symbol: mS58
  • Space Group: 8
  • Phase Prototype: Na2.5ZrMn0.15Si6O12.8[OH]5.2[H2O]0.45
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.065
  • Sample Detail(s): lovozerite sample from Russia, Kola Peninsula, Lovozero massif, Na2.52K0.01[H2O]0.45Mn0.14Ca0.01Fe0.01Zr0.96Ti0.01Hf0.01Si6O12.76[OH]5.24, single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.5ZrMn0.15Si6O12.8[OH]5.2[H2O]0.45
  • Alphabetic Formula: [H2O]0.45Mn0.15Na2.5O12.8[OH]5.2Si6Zr
  • Published Formula: (Na,H2O,☐)3(☐,Na,Mn2+)Zr[Si6O12(OH)3(OH,O)3]
  • Refined Formula: Ca0.01Fe0.01H6.14Hf0.01K0.01Mn0.14Na2.51O18.45Si6Ti0.01Zr0.96
  • Wyckoff Sequence: 8,b10a9
  • Z Formula Units: 2
  • Density: ρ = 2.62 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_1121596

  • 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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