Inorganic Solid Phases

[NaK6MgCa2(Al13Si47O120)·36H2O] (K6NaCa2MgAl13Si47O120[H2O]36) Crystal Structure

General Information

  • Phase Label(s): K6NaCa2MgAl13Si47O120[H2O]36
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): direnzoite
  • Pearson Symbol: oP248
  • Space Group: 59
  • Phase Prototype: K6NaCa2MgAl13Si47O120[H2O]36
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, GILDA, BM08 (determination of structural parameters), X-rays, synchrotron; λ = 0.0688876 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 189 variables, RP = 0.0287; wRP = 0.0399
  • Sample Detail(s): direnzoite sample from France, Massif Central, electron microprobe analysis; (Na1.12K2.73Mg1.56Ca2.17Fe0.15Sr0.03Ba0.01)Al13.40Si46.98O120[H2O]35.99, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K6NaCa2MgAl13Si47O120[H2O]36
  • Alphabetic Formula: Al13Ca2[H2O]36K6MgNaO120Si47
  • Published Formula: [NaK6MgCa2(Al13Si47O120)·36H2O]
  • Refined Formula: Al15.31Ca2.24H73.48K6Mg1.44Na0.94O156.74Si44.69
  • Wyckoff Sequence: 59,g15f5e19dcb6a6
  • Z Formula Units: 1
  • Density: ρ = 2.12 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]

Powder Pattern

published defraction line
2θ [°]
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_1221557

  • 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

    Citation copied