Inorganic Solid Phases

ThCa2Si8O20 (Ca1.9Th0.9U0.05Mn0.03Fe0.06Si8O20) Crystal Structure

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General Information

  • Phase Label(s): Ca1.9Th0.9U0.05Mn0.03Fe0.06Si8O20
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): ekanite
  • Pearson Symbol: tI62
  • Space Group: 97
  • Phase Prototype: Ca1.9Th0.9U0.05Mn0.03Fe0.06Si8O20
  • Measurement Detail(s): automatic diffractometer; 62 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, 1156 reflections; I > 1.65σ(I), R = 0.0357
  • Sample Detail(s): ekanite sample from Canada, Yukon, Tombstone Mountains, electron microprobe analysis; 47.6 wt.% SiO2, 9.6 wt.% CaO, 37.8 wt.% ThO2, 0.8 wt.% Al2O3, 1.1 wt.% UO2, 0.4 wt.% FeO, 0.2 wt.% MnO, single crystal (determination of cell parameters), single crystal, 0.246 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.9Th0.9U0.05Mn0.03Fe0.06Si8O20
  • Alphabetic Formula: Ca1.9Fe0.06Mn0.03O20Si8Th0.9U0.05
  • Published Formula: ThCa2Si8O20
  • Refined Formula: Ca1.92Fe0.06Mn0.02O20Si8Th0.89U0.05
  • Wyckoff Sequence: 97,k3jca
  • Z Formula Units: 2
  • Density: ρ = 3.37 Mg·m−3
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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

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_1617854

  • 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)

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