Inorganic Solid Phases

(Ca18.68Mn2+0.06Mg0.26)Al4Al(Al6.51Mg1.49)(Si17.49Al0.51)O69(OH)9.0 (Ca18.68Mg1.75Mn0.06Al12.02Si17.49O69[OH]9) Crystal Structure

General Information

  • Phase Label(s): Ca18.68Mg1.75Mn0.06Al12.02Si17.49O69[OH]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP260
  • Space Group: 85
  • Phase Prototype: Ca19.32Mg1.87Fe1.39Al9.42[SiO4]10[Si2O7]4O0.81[OH]9.19
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, 297 variables; 3623 reflections; F > 3σ(F), R = 0.0548; wR = 0.0632
  • Sample Detail(s): sample from Canada, Quebec, Asbestos, Jeffrey mine, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.37 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca18.68Mg1.75Mn0.06Al12.02Si17.49O69[OH]9
  • Alphabetic Formula: Al12.02Ca18.68Mg1.75Mn0.06O69[OH]9Si17.49
  • Published Formula: (Ca18.68Mn2+0.06Mg0.26)Al4Al(Al6.51Mg1.49)(Si17.49Al0.51)O69(OH)9.0
  • Refined Formula: Al11.88Ca18.94H9Mg1.63Mn0.06O78Si17.49
  • Wyckoff Sequence: 85,g29fedc6ba
  • Z Formula Units: 2
  • Density: ρ = 3.35 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_2041447

  • 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