Inorganic Solid Phases

Mn2+2Al3Si3O11(OH)3, (Mn2+1.66Ca0.34)(Mn0.20Al2.49Mg0.23Fe3+0.05V3+0.01Cu0.01)Si3.01O10.57−10.77(OH)3.23−3.43 (H0.43Ca0.34Mg0.23Cu0.01V0.01Mn1.86Fe0.05Al2.49Si0.01[SiO4][Si2O7][OH]3) Crystal Structure

General Information

  • Phase Label(s): H0.43Ca0.34Mg0.23Cu0.01V0.01Mn1.86Fe0.05Al2.49Si0.01[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; 139 variables; 1539 reflections, R = 0.0353; wR = 0.0969
  • Sample Detail(s): sursassite sample from Japan, Chiba Prefecture, Kamogawa, electron microprobe analysis; (Mn2+1.66Ca0.34)(Mn0.20Al2.49Mg0.23Fe3+0.05V3+0.01Cu0.01)Si3.01O10.57−10.77[OH]3.23−3.43, single crystal (determination of cell parameters), single crystal, 0.02×0.07×0.135 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.43Ca0.34Mg0.23Cu0.01V0.01Mn1.86Fe0.05Al2.49Si0.01[SiO4][Si2O7][OH]3
  • Alphabetic Formula: Al2.49Ca0.34Cu0.01Fe0.05H0.43Mg0.23Mn1.86[OH]3Si0.01[SiO4][Si2O7]V0.01
  • Published Formula: Mn2+2Al3Si3O11(OH)3, (Mn2+1.66Ca0.34)(Mn0.20Al2.49Mg0.23Fe3+0.05V3+0.01Cu0.01)Si3.01O10.57−10.77(OH)3.23−3.43
  • Refined Formula: Al2.51Ca0.34Fe0.05H3Mg0.23Mn1.87O14Si3
  • Wyckoff Sequence: 11,f3e13dca
  • Z Formula Units: 2
  • Density: ρ = 3.58 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_1223711

  • 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

    Citation copied