Inorganic Solid Phases

(Ca1.70Na0.30)(Fe5.58Ti0.24Mg0.12Al0.03Sn0.03)(Si4.56Be1.06Al0.35Fe0.03)O20 (Na0.30Ca1.70Mg0.12Be1.06Ti0.24Fe5.61Al0.38Sn0.03Si4.56O20) Crystal Structure

General Information

  • Phase Label(s): Na0.30Ca1.70Mg0.12Be1.06Ti0.24Fe5.61Al0.38Sn0.03Si4.56O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hogtuvaite
  • Pearson Symbol: aP68
  • Space Group: 2
  • Phase Prototype: Na2TiFe5Si6O20
  • Measurement Detail(s): automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 313 variables; 4996 reflections; I > 2σ(I), R = 0.043; wR = 0.126
  • Sample Detail(s): hogtuvaite, aenigmatite group sample from Norway, Hogtuva, electron microprobe analysis; composition detected as Si4.563Nb0.010Ti0.237Sn0.027Al0.415Fe3+2.223Fe2+3.335Mn0.048Mg0.084Ca1.633Na0.357Be1.076B0.005Li0.007O20, twinned crystal, 0.03×0.12×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.30Ca1.70Mg0.12Be1.06Ti0.24Fe5.61Al0.38Sn0.03Si4.56O20
  • Alphabetic Formula: Al0.38Be1.06Ca1.70Fe5.61Mg0.12Na0.30O20Si4.56Sn0.03Ti0.24
  • Published Formula: (Ca1.70Na0.30)(Fe5.58Ti0.24Mg0.12Al0.03Sn0.03)(Si4.56Be1.06Al0.35Fe0.03)O20
  • Refined Formula: Al0.38Be1.06Ca1.71Fe5.61Mg0.12Na0.29O20Si4.56Sn0.03Ti0.24
  • Wyckoff Sequence: 2,i33gd
  • Z Formula Units: 2
  • Density: ρ = 3.97 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1712125

  • 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

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