Inorganic Solid Phases

[(Ti1.7Fe3+0.3)Na1.1O4]·[(Ti1.3Nb0.3Zr0.15Mn2+0.2Mg0.05)(Na1.2Ca0.1K0.2)·(Si2O7)2][Na2.6(H2PO4)2] (H4Na6.5Zr0.15Ti3Nb0.3Mn0.25Fe0.3[Si2O7]2[PO4]2O4) Crystal Structure

General Information

  • Phase Label(s): H4Na6.5Zr0.15Ti3Nb0.3Mn0.25Fe0.3[Si2O7]2[PO4]2O4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): betalomonosovite
  • Pearson Symbol: aP98
  • Space Group: 2
  • Phase Prototype: H4Na6.5Zr0.15Ti3Nb0.3Mn0.25Fe0.3[Si2O7]2[PO4]2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; I > 2σ(I), R = 0.087
  • Sample Detail(s): betalomonosovite sample from Russia, Kola Peninsula, Lovozero massif, single crystal (determination of cell parameters), single crystal, 0.3×0.3×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4Na6.5Zr0.15Ti3Nb0.3Mn0.25Fe0.3[Si2O7]2[PO4]2O4
  • Alphabetic Formula: Fe0.3H4Mn0.25Na6.5Nb0.3O4[PO4]2[Si2O7]2Ti3Zr0.15
  • Published Formula: [(Ti1.7Fe3+0.3)Na1.1O4]·[(Ti1.3Nb0.3Zr0.15Mn2+0.2Mg0.05)(Na1.2Ca0.1K0.2)·(Si2O7)2][Na2.6(H2PO4)2]
  • Refined Formula: Fe0.30Mn0.25Na4.90Nb0.30O25.30P1.80Si4Ti3Zr0.15
  • Wyckoff Sequence: 2,i49
  • Z Formula Units: 2
  • Density: ρ = 3.00 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_1000064

  • 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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