Inorganic Solid Phases

Ca2Fe3+Mn2+3Mn3+[Zn2Si2O10](OH)8 (Ca2Mg0.3Zn2Mn3.7Fe1.5Al0.5Si2O10[OH]8) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.3Zn2Mn3.7Fe1.5Al0.5Si2O10[OH]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): franklinfurnaceite
  • Pearson Symbol: mS58
  • Space Group: 5
  • Phase Prototype: Ca2Mg0.3Zn2Mn3.7Fe1.5Al0.5Si2O10[OH]8
  • Measurement Detail(s): automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, 904 reflections; F > 3σ(F), R = 0.035; wR = 0.028
  • Sample Detail(s): franklinfurnaceite sample from U.S.A. New Jersey, Sussex County, Franklin Furnace, single crystal, 0.19×0.22×0.31 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.3Zn2Mn3.7Fe1.5Al0.5Si2O10[OH]8
  • Alphabetic Formula: Al0.5Ca2Fe1.5Mg0.3Mn3.7O10[OH]8Si2Zn2
  • Published Formula: Ca2Fe3+Mn2+3Mn3+[Zn2Si2O10](OH)8
  • Refined Formula: Al0.23Ca2Fe0.76H8Mg0.37Mn3.63O18Si2Zn2
  • Wyckoff Sequence: 5,c12b2a3
  • Z Formula Units: 2
  • Density: ρ = 3.90 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_1616317

  • 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