Inorganic Solid Phases

(Ca1.00Na0.12)(Mn0.85Fe0.13Mg0.01)(Si4.75Al0.39Be1.86)O13(OH)2·2H2O (Na0.04Ca1.04Mg0.01Be1.81Mn0.8Fe0.04Al0.56Si4.72O13[OH]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na0.04Ca1.04Mg0.01Be1.81Mn0.8Fe0.04Al0.56Si4.72O13[OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chiavennite
  • Pearson Symbol: mP104
  • Space Group: 14
  • Phase Prototype: Ca1.05(Be0.26Al0.57Si0.67)7(Mn0.85Fe0.15)O13[OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 275 variables; 3911 reflections; I > 2σ(I), R = 0.0423; wR = 0.1078
  • Sample Detail(s): chiavennite sample from Sweden, Stockholm archipelago, Utö, electron microprobe analysis; (Ca1.00Na0.12)(Mn0.85Fe0.13Mg0.01)(Si4.75Al0.39Be1.86)O13[OH]2[H2O]2, twinned crystal (determination of cell parameters), twinned crystal, 0.030×0.040×0.120 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.12CaMg0.01Be1.86Mn0.85Fe0.13Al0.39Si4.75O13[OH]2[H2O]2
  • Alphabetic Formula: Al0.39Be1.86CaFe0.13[H2O]2Mg0.01Mn0.85Na0.12O13[OH]2Si4.75
  • Published Formula: (Ca1.00Na0.12)(Mn0.85Fe0.13Mg0.01)(Si4.75Al0.39Be1.86)O13(OH)2·2H2O
  • Refined Formula: B0.06Be1.91Ca1.08H6Mn0.95O17Si4.89
  • Wyckoff Sequence: 14,e26ba
  • Z Formula Units: 4
  • Density: ρ = 2.65 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_1242915

  • 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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