Inorganic Solid Phases

(Ca0.25K0.17Na0.12)(Mn5.73Mg0.05Fe0.01Al0.21)(Si9.15Al0.85)O24(OH)4·3.72H2O (K0.17Na0.12Ca0.25Mg0.05Mn5.73Fe0.01Al1.21Si9O24[OH]4[H2O]3.72) Crystal Structure

General Information

  • Phase Label(s): K0.17Na0.12Ca0.25Mg0.05Mn5.73Fe0.01Al1.21Si9O24[OH]4[H2O]3.72
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tamaite
  • Pearson Symbol: oP380
  • Space Group: 62
  • Phase Prototype: K0.17Na0.12Ca0.25Mg0.05Mn5.73Fe0.01Al1.21Si9O24[OH]4[H2O]3.72
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 462 variables; 5795 reflections; I > 4σ(I), R = 0.0786
  • Sample Detail(s): tamaite sample from Italy, Apennines, Liguria, Val Graveglia, Molinello mine, electron microprobe analysis; (Ca0.25K0.17Na0.12)(Mn5.73Mg0.05Fe0.01Al0.21)(Si9.15Al0.85)O24[OH]4[H2O]3.72, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.17Na0.12Ca0.25Mg0.05Mn5.73Fe0.01Al1.21Si9O24[OH]4[H2O]3.72
  • Alphabetic Formula: Al1.21Ca0.25Fe0.01[H2O]3.72K0.17Mg0.05Mn5.73Na0.12O24[OH]4Si9
  • Published Formula: (Ca0.25K0.17Na0.12)(Mn5.73Mg0.05Fe0.01Al0.21)(Si9.15Al0.85)O24(OH)4·3.72H2O
  • Refined Formula: Ca0.50H9K0.50Mn6O30.50Si10
  • Wyckoff Sequence: 62,d44c7
  • Z Formula Units: 8
  • Density: ρ = 2.67 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_1230483

  • 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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