Inorganic Solid Phases

Na8[Al6Si6O24](CO3)·4H2O (Na16Al12[SiO4]12[CO3]2[H2O]8) Crystal Structure

General Information

  • Phase Label(s): Na16Al12[SiO4]12[CO3]2[H2O]8
  • Structure Class(es): zeolite LOS
  • Classification by Properties:
  • Mineral Name(s): carbobystrite
  • Pearson Symbol: hP116
  • Space Group: 159
  • Phase Prototype: Na16Al12[SiO4]12[CO3]2[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthosilicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 181 variables; 4893 reflections, R = 0.0272; wR = 0.0729
  • Sample Detail(s): carbobystrite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, electron microprobe analysis; (Na7.40K0.38)(Al6.04Si6.02)O24CO3[H2O]3.5, twinned crystal (determination of cell parameters), twinned crystal, 0.20×0.30×0.56 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na16Al12[SiO4]12[CO3]2[H2O]8
  • Alphabetic Formula: Al12[CO3]2[H2O]8Na16[SiO4]12
  • Published Formula: Na8[Al6Si6O24](CO3)·4H2O
  • Refined Formula: Al12C2H13.92K0.72Na15.12O60.96Si12
  • Wyckoff Sequence: 159,c18b3a
  • Z Formula Units: 1
  • Density: ρ = 2.38 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]

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_1225072

  • 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