Inorganic Solid Phases

(Na5.17K1.80Ca1.01)[(Al,Si)12O24](S3)2−1.38Cl0.08·2H2O (K4Na10Ca2Al12Si12S9O12[H2O]2) Crystal Structure

General Information

  • Phase Label(s): K4Na10Ca2Al12Si12S9O12[H2O]2
  • Structure Class(es): zeolite LOS
  • Classification by Properties:
  • Mineral Name(s): bystrite
  • Pearson Symbol: hP120
  • Space Group: 159
  • Phase Prototype: K4Na10Ca2(Al0.5Si0.5)24S9O12[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.078
  • Sample Detail(s): bystrite sample from Russia, Prebaikal (Pribaikale), Malaya Bystraya deposit, chemical analysis; (Na5.17K1.80Ca1.01)(Si6.17Al5.83)O24[CO3]0.08[S3]2−1.39[SO4]0.07Cl0.08[H2O], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K4Na10Ca2Al12Si12S9O12[H2O]2
  • Alphabetic Formula: Al12Ca2[H2O]2K4Na10O12S9Si12
  • Published Formula: (Na5.17K1.80Ca1.01)[(Al,Si)12O24](S3)2−1.38Cl0.08·2H2O
  • Refined Formula: Al5.82Ca0.94Cl0.48H0.96K0.90Na5.50O24.48S3.54Si6.18
  • Wyckoff Sequence: 159,c19ba2
  • Z Formula Units: 1
  • Density: ρ = 2.41 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_1814697

  • 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