Inorganic Solid Phases

(K,Na,Ca)7.5(Mn,Mg)49(Si64.5Al7.5)O168(OH)50·nH2O (K6Na0.5Ca0.5Mg1.9Mn44Fe3.1Al7.5Si64.5O168[OH]50[H2O]12) Crystal Structure

General Information

  • Phase Label(s): K6Na0.5Ca0.5Mg1.9Mn44Fe3.1Al7.5Si64.5O168[OH]50[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): parsettensite
  • Pearson Symbol: mS726
  • Space Group: 12
  • Phase Prototype: K6Na0.5Ca0.5Mg1.9Mn44Fe3.1Al7.5Si64.5O168[OH]50[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D501 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, trial-and-error, R = 0.042
  • Sample Detail(s): parsettensite sample from Italy, Apennines, Liguria, Val Graveglia, Gambatesa mine, chemical analysis; (Si64.39Al7.61)(Ti0.18Fe2+3.09Mn2+42.58Mg1.92)(Ca0.52Na0.92K5.99)H74O168, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K6Na0.5Ca0.5Mg1.9Mn44Fe3.1Al7.5Si64.5O168[OH]50[H2O]12
  • Alphabetic Formula: Al7.5Ca0.5Fe3.1[H2O]12K6Mg1.9Mn44Na0.5O168[OH]50Si64.5
  • Published Formula: (K,Na,Ca)7.5(Mn,Mg)49(Si64.5Al7.5)O168(OH)50·nH2O
  • Refined Formula: Al7.20Fe2.94H50K6Mg1.96Mn44.10O218Si64.80
  • Wyckoff Sequence: 12,j79i20g3a
  • Z Formula Units: 2
  • Density: ρ = 2.57 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

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1617041

  • 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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