Inorganic Solid Phases

Mn2+2(Mn2+,Ca)2(AlOH)4[(Mg,Al,Fe3+)OH]2(As,V)O4Si3O10(SiO4)2 (Ca0.2Mg1.0Mn3.8Fe0.4Al4.6[VO4]0.1Si3[SiO4]2[AsO4]0.9O10[OH]6) Crystal Structure

General Information

  • Phase Label(s): Ca0.2Mg1.0Mn3.8Fe0.4Al4.6[VO4]0.1Si3[SiO4]2[AsO4]0.9O10[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): Weissenberg photographs (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154051 nm (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 294 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthosilicate, vanadate, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 623 reflections
  • Sample Detail(s): ardennite sample from Belgium, Ardennes, Salm-Chateau, sample prepared from ardennite, chemical analysis; Mn4(Mn3.53Ca0.49)Al8(Mg2.00Al0.60Fe0.40Cu0.12)(As1.81V0.19)Si6Si3.87[OH11.79F0.16]O44.05; small amounts of Cr3+ and trace amounts of Sn, Co2+, Ni2+, Zn and Na detected, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.2Mg1.0Mn3.8Fe0.4Al4.6[VO4]0.1Si3[SiO4]2[AsO4]0.9O10[OH]6
  • Alphabetic Formula: Al4.6[AsO4]0.9Ca0.2Fe0.4Mg1.0Mn3.8O10[OH]6Si3[SiO4]2[VO4]0.1
  • Published Formula: Mn2+2(Mn2+,Ca)2(AlOH)4[(Mg,Al,Fe3+)OH]2(As,V)O4Si3O10(SiO4)2
  • Refined Formula: Al4.60As0.90Ca0.20Fe0.40H6MgMn3.80O28Si5V0.10
  • Wyckoff Sequence: 59,g2f3e12dcba
  • Z Formula Units: 2
  • Density: ρ = 3.74 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1501370

  • 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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