Inorganic Solid Phases

Mn2+2Al3Si3O11(OH)3, (Mn2+1.78Ca0.22)(Mn0.18Al2.50Mg0.29Fe3+0.01Zn0.01)Si3.01O10.53−10.71(OH)3.29−3.47 (H0.47Ca0.22Mg0.29Zn0.01Mn1.96Fe0.01Al2.5Si0.01[SiO4][Si2O7][OH]3) Crystal Structure

General Information

  • Phase Label(s): H0.47Ca0.22Mg0.29Zn0.01Mn1.96Fe0.01Al2.5Si0.01[SiO4][Si2O7][OH]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sursassite
  • Pearson Symbol: mP44
  • Space Group: 11
  • Phase Prototype: Ca2(Mn0.87Al0.13)3[SiO4][Si2O7][OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 135 variables; 1455 reflections, R = 0.0448; wR = 0.1190
  • Sample Detail(s): sursassite sample from Canada, New Brunswick, Woodstock, electron microprobe analysis; (Mn2+1.78Ca0.22)(Mn0.18Al2.50Mg0.29Fe3+0.01Zn0.01)Si3.01O10.53−10.71[OH]3.29−3.47, single crystal (determination of cell parameters), single crystal, 0.01×0.08×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.47Ca0.22Mg0.29Zn0.01Mn1.96Fe0.01Al2.5Si0.01[SiO4][Si2O7][OH]3
  • Alphabetic Formula: Al2.5Ca0.22Fe0.01H0.47Mg0.29Mn1.96[OH]3Si0.01[SiO4][Si2O7]Zn0.01
  • Published Formula: Mn2+2Al3Si3O11(OH)3, (Mn2+1.78Ca0.22)(Mn0.18Al2.50Mg0.29Fe3+0.01Zn0.01)Si3.01O10.53−10.71(OH)3.29−3.47
  • Refined Formula: Al2.41Ca0.22H2Mg0.29Mn2.08O14Si3
  • Wyckoff Sequence: 11,f3e13dca
  • Z Formula Units: 2
  • Density: ρ = 3.59 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]

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_1223709

  • 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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