Inorganic Solid Phases

Zn0.15Ca0.18{Na1.06(Ti1.32Mn0.60Nb0.08)}{Zn0.70Ca0.12(Ti1.74Nb0.26)[Si2O7]2}O2(OH,O)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; 211 variables; 1752 reflections; I > 2σ(I), R = 0.1707
  • Sample Detail(s): sample prepared from murmanite, ZnSO4, energy-dispersive X-ray analysis; Na/K/Ca/Zn/Mg/Mn/Fe/Si/Ti/Zr/Nb ratio 0.52/0.02/0.52/0.85/0.05/0.25/0.17/4.00/3.00/0.21/0.38, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.06Ca0.3Zn0.85Ti3.06Nb0.34Mn0.6[Si2O7]2O2.5[OH]1.5[H2O]4
  • Alphabetic Formula: [H2O]4Ca0.3[OH]1.5[Si2O7]2Mn0.6Na1.06Nb0.34O2.5Ti3.06Zn0.85
  • Published Formula: Zn0.15Ca0.18{Na1.06(Ti1.32Mn0.60Nb0.08)}{Zn0.70Ca0.12(Ti1.74Nb0.26)[Si2O7]2}O2(OH,O)2(H2O)4
  • Refined Formula: Ca0.30H8Mn0.60Na1.06Nb0.34O22Si4Ti3.06Zn0.85
  • Wyckoff Sequence: 2,i35a
  • Z Formula Units: 2
  • Density: ρ = 3.05 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_1239018

  • 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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