Inorganic Solid Phases

(K0.2Na4.2Mg0.2Ca3.7)(Al12.3Si67.7)O160·>29H2O (K0.1Na2.1Ca1.8Mg0.1Al6Si34O80[H2O]14.5) Crystal Structure

General Information

  • Phase Label(s): K0.1Na2.1Ca1.8Mg0.1Al6Si34O80[H2O]14.5
  • Structure Class(es): zeolite TER
  • Classification by Properties:
  • Mineral Name(s): terranovaite
  • Pearson Symbol: oS348
  • Space Group: 63
  • Phase Prototype: K0.1Na2.1Ca1.8Mg0.1(Al0.15Si0.85)40O80[H2O]14.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2849 reflections; I > 5σ(I), R = 0.071; wR = 0.068
  • Sample Detail(s): terranovaite sample from Antarctica, Northern Victoria Land, Mt. Adamson, chemical analysis; 73.02 wt.% SiO2, 11.25 wt.% Al2O3, 0.14 wt.% MgO, 3.72 wt.% CaO, 2.33 wt.% Na2O, 0.20 wt.% K2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.1Na2.1Ca1.8Mg0.1Al6Si34O80[H2O]14.5
  • Alphabetic Formula: Al6Ca1.8[H2O]14.5K0.1Mg0.1Na2.1O80Si34
  • Published Formula: (K0.2Na4.2Mg0.2Ca3.7)(Al12.3Si67.7)O160·>29H2O
  • Refined Formula: Al6Ca2.74H42.69K0.16Mg0.14Na3.01O101.34Si34
  • Wyckoff Sequence: 63,h12g3f13c6a
  • Z Formula Units: 2
  • Density: ρ = 1.98 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]

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_1213338

  • 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