Inorganic Solid Phases

(Mn2+,Mg,Fe3+,)5Si8O20(OH,H2O)2(H2O)7, Mn2+5Si8O20(OH)2(H2O)8 (Ca0.18MgZn0.11Ti0.02Mn3.01Fe0.21Al0.01Si8O20[OH]1.34[H2O]7.66) Crystal Structure

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General Information

  • Phase Label(s): Ca0.18MgZn0.11Ti0.02Mn3.01Fe0.21Al0.01Si8O20[OH]1.34[H2O]7.66
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): yofortierite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: Ca0.18MgZn0.11Ti0.02Mn3.01Fe0.21Al0.01Si8O20([OH]0.67[H2O]0.33)[H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 (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 and part of H atoms determined, least-squares refinement; 1795 reflections; F > 4σ(F), R = 0.0490; wR = 0.138
  • Sample Detail(s): yofortierite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, Poudrette quarry, electron microprobe analysis; (Mn3.01Mg1.00Zn0.11Ca0.18Fe3+0.21Ti0.02Al0.01☐0.46)Si8.00O20([OH]1.34[H2O]0.66)[H2O]7, single crystal (determination of cell parameters), single crystal, 0.010×0.020×0.220 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.18MgZn0.11Ti0.02Mn3.01Fe0.21Al0.01Si8O20[OH]1.34[H2O]7.66
  • Alphabetic Formula: Al0.01Ca0.18Fe0.21[H2O]7.66MgMn3.01O20[OH]1.34Si8Ti0.02Zn0.11
  • Published Formula: (Mn2+,Mg,Fe3+,)5Si8O20(OH,H2O)2(H2O)7, Mn2+5Si8O20(OH)2(H2O)8
  • Refined Formula: H18Mn5O30Si8
  • Wyckoff Sequence: 12,j7i3hg2ec
  • Z Formula Units: 2
  • Density: ρ = 2.38 Mg·m−3
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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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1230515

  • 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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