Inorganic Solid Phases

Ca0.04{Na1.22(Ti1.19Mn0.60Nb0.21)}{Zn1.03(Ti1.64Nb0.36)[Si2O7]2}O2(O,OH)2(H2O)4 (Na1.22Ca0.04Zn1.03Ti2.83Nb0.57Mn0.60[Si2O7]2O2.73[OH]1.27[H2O]4) Crystal Structure

General Information

  • Phase Label(s): Na1.22Ca0.04Zn1.03Ti2.83Nb0.57Mn0.60[Si2O7]2O2.73[OH]1.27[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): vigrishinite
  • Pearson Symbol: aP71
  • Space Group: 2
  • Phase Prototype: Na1.22Ca0.04Zn1.03Ti2.83Nb0.57Mn0.60[Si2O7]2O2.73[OH]1.27[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX DUO (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 320 variables; 3458 reflections; I > 2σ(I), R = 0.1195
  • Sample Detail(s): vigrishinite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Malyi Punkaruaiv, energy-dispersive X-ray analysis; Na/K/Ca/Zn/Mg/Mn/Fe/Al/Si/Ti/Nb/P ratio 0.70/0.06/0.07/1.09/0.09/0.33/0.19/0.03/3.97/2.49/0.68/0.05, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.22Ca0.04Zn1.03Ti2.83Nb0.57Mn0.60[Si2O7]2O2.73[OH]1.27[H2O]4
  • Alphabetic Formula: [H2O]4Ca0.04[OH]1.27[Si2O7]2Mn0.60Na1.22Nb0.57O2.73Ti2.83Zn1.03
  • Published Formula: Ca0.04{Na1.22(Ti1.19Mn0.60Nb0.21)}{Zn1.03(Ti1.64Nb0.36)[Si2O7]2}O2(O,OH)2(H2O)4
  • Refined Formula: Ca0.04H8Mn0.60Na1.22Nb0.57O22Si4Ti2.83Zn1.03
  • Wyckoff Sequence: 2,i35a
  • Z Formula Units: 2
  • Density: ρ = 3.11 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_1239016

  • 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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