Inorganic Solid Phases

[Si36Al36O144][Na31.1Ca3.94K0.96(SO4)9.3(SO3)0.7][Ca12Cl8] (KNa31Ca16Al36[SiO4]36[SO3]0.7[SO4]9.3Cl8) Crystal Structure

General Information

  • Phase Label(s): KNa31Ca16Al36[SiO4]36[SO3]0.7[SO4]9.3Cl8
  • Structure Class(es): zeolite TOL
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP342
  • Space Group: 143
  • Phase Prototype: KNa31Ca16Al36[SiO4]36[SO3]0.7[SO4]9.3Cl8
  • Measurement Detail(s): automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfite, sulfate, orthosilicate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 3834 reflections; F > 3σ(F), R = 0.035
  • Sample Detail(s): unknown sample from Russia, Prebaikal (Pribaikale), electron microprobe analysis; (Ca2.58Na5.18K0.15)(Si5.99Al6.01)O24[SO4]1.79Cl1.33, single crystal, 0.15×0.3×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa31Ca16Al36[SiO4]36[SO3]0.7[SO4]9.3Cl8
  • Alphabetic Formula: Al36Ca16Cl8KNa31[SO3]0.7[SO4]9.3[SiO4]36
  • Published Formula: [Si36Al36O144][Na31.1Ca3.94K0.96(SO4)9.3(SO3)0.7][Ca12Cl8]
  • Refined Formula: Al36Ca15.94Cl8K0.96Na31.10O183.30S10Si36
  • Wyckoff Sequence: 143,d100c12b15a15
  • Z Formula Units: 1
  • Density: ρ = 2.53 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1907220

  • 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