Inorganic Solid Phases

Be3(Sc1.25Fe0.46(4)Mg0.29(4))Si6O18[Na0.46(4)(H2O)0.8(1); bazzite (Na0.46Mg0.29Be3Sc1.25Fe0.46Si6O18[H2O]0.8) Crystal Structure

General Information

  • Phase Label(s): Na0.46Mg0.29Be3Sc1.25Fe0.46Si6O18[H2O]0.8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bazzite
  • Pearson Symbol: hP62
  • Space Group: 192
  • Phase Prototype: (Cs0.15[H2O]0.7)Na0.35(Li0.1Be0.9)3Si6Al2O18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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, least-squares refinement; 35 variables; I > 3σ(I), R = 0.022; wR = 0.022
  • Sample Detail(s): bazzite sample from (Switzerland, Bern, Museum of Natural History), electron microprobe analysis; 59.79 wt.% SiO2, 0.17 wt.% Al2O3, 14.28 wt.% Sc2O3, 2.11 wt.% MgO, 5.68 wt.% Fe2O3, 0.33 wt.% MnO, 0.05 wt.% CaO, 1.62 wt.% Na2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.46Mg0.29Be3Sc1.25Fe0.46Si6O18[H2O]0.8
  • Alphabetic Formula: Be3Fe0.46[H2O]0.8Mg0.29Na0.46O18Sc1.25Si6
  • Published Formula: Be3(Sc1.25Fe0.46(4)Mg0.29(4))Si6O18[Na0.46(4)(H2O)0.8(1); bazzite
  • Refined Formula: Be3Fe0.46H1.60Mg0.30Na0.46O18.80Sc1.24Si6
  • Wyckoff Sequence: 192,ml2fcba
  • Z Formula Units: 2
  • Density: ρ = 2.77 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1923591

  • 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