Inorganic Solid Phases

H26Er0.02Na10O48Si12Y3.98; H0.5Na2.5[(Y0.995Er0.005)Si3O9]·3H2O (H26Na10Y3.98Er0.02[SiO4]12, T = 100(2) K) Crystal Structure

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General Information

  • Phase Label(s): H26Na10Y3.98Er0.02[SiO4]12
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP78
  • Space Group: 14
  • Phase Prototype: HNa5(Y0.995Er0.005)2Si6O18[H2O]6
  • Measurement Detail(s): automatic diffractometer; 1171 (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 155 variables; 873 reflections; I > 2σ(I), R = 0.0882; wR = 0.1994
  • Sample Detail(s): sample prepared from sodium silicate solution, NaOH, YCl3[H2O]6, ErCl3[H2O]6, energy-dispersive X-ray analysis, thermogravimetry; trace amounts of H24Er0.02Na12O48Si12Y3.98 and Na3[(Y0.995Er0.005)Si3O9], single crystal (determination of cell parameters), single crystal, 0.01×0.05×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNa5Y1.99Er0.01Si6O18[H2O]6
  • Alphabetic Formula: Er0.01H[H2O]6Na5O18Si6Y1.99
  • Published Formula: H26Er0.02Na10O48Si12Y3.98; H0.5Na2.5[(Y0.995Er0.005)Si3O9]·3H2O
  • Refined Formula: Er0.02H12Na5O24Si6Y1.98
  • Wyckoff Sequence: 14,e19b
  • Z Formula Units: 2
  • Density: ρ = 2.89 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

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_1421085

  • 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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