Inorganic Solid Phases

Mn2+4MgAl5[Si5(As5+,V5+)O22](OH)6 (CaMg0.9Mn3.4Fe0.3Al4.4Si3.2[SiO4]2As0.8O14[OH]6) Crystal Structure

General Information

  • Phase Label(s): CaMg0.9Mn3.4Fe0.3Al4.4Si3.2[SiO4]2As0.8O14[OH]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ardennite-(As)
  • Pearson Symbol: oP88
  • Space Group: 59
  • Phase Prototype: (Ca0.1Mn0.9)2(Mg0.5Fe0.2Al0.3)2Mn2Al4[(V0.1As0.9)O4]Si3[SiO4]2O10[OH]6
  • 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, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 140 variables, R = 0.0243; wR = 0.0609
  • Sample Detail(s): ardennite sample from Italy, Vernetto, electron microprobe analysis; (Ca0.75Mn2+3.25)(Mn3+0.19Mg1.09Al4.48Fe3+0.12Cr3+0.01Cu0.02Ni0.01Ti0.01V3+0.04)[Si5.00(Si0.32As0.68P0.03)]O21.25[OH]6.75, single crystal (determination of cell parameters), single crystal, 0.020×0.065×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.8Mg1.1Mn3.5Fe0.1Al4.5Si3[SiO4]2.3[AsO4]0.7O9.3[OH]6.7
  • Alphabetic Formula: Al4.5[AsO4]0.7Ca0.8Fe0.1Mg1.1Mn3.5O9.3[OH]6.7Si3[SiO4]2.3
  • Published Formula: Mn2+4MgAl5[Si5(As5+,V5+)O22](OH)6
  • Refined Formula: Al4.31As0.73Ca1.26H6Mg1.08Mn3.35O28Si5.27
  • Wyckoff Sequence: 59,g2f3e12dcba
  • Z Formula Units: 2
  • Density: ρ = 3.62 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_1225432

  • 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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