Inorganic Solid Phases

Na3Zr1.5Sc0.5Si1.5P1.5O12 monoclinic (Na3Sc0.3Zr1.7[SiO4]2[PO4]) Crystal Structure

General Information

  • Phase Label(s): Na3Sc0.3Zr1.7[SiO4]2[PO4]
  • Structure Class(es): Nasicon family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS84
  • Space Group: 15
  • Phase Prototype: Na3Zr2[SiO4]2[PO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Seifert-Scintag PAD-II (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 151 variables; 248 reflections, wRP = 0.142; RB = 0.063
  • Sample Detail(s): sample prepared from ZrO2, SiO2, Sc2O3, Na3PO4, ZrP2O7, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3Sc0.5Zr1.5[SiO4]1.5[PO4]1.5
  • Alphabetic Formula: Na3[PO4]1.5Sc0.5[SiO4]1.5Zr1.5
  • Published Formula: Na3Zr1.5Sc0.5Si1.5P1.5O12 monoclinic
  • Refined Formula: Na3.01O12P1.50Sc0.50Si1.50Zr1.50
  • Wyckoff Sequence: 15,f9e2d
  • Z Formula Units: 4
  • Density: ρ = 3.15 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_2041265

  • 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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