Inorganic Solid Phases

Na5.38Y0.01Ce0.01Nd0.01U0.01Ca0.02Mn0.23Fe0.03Ti0.05Zr0.91Si6O15.91(OH)2.12 (Na5.38Nd0.04Zr0.91Ti0.05Mn0.28Si6O15.9[OH]2.1) Crystal Structure

General Information

  • Phase Label(s): Na5.38Nd0.04Zr0.91Ti0.05Mn0.28Si6O15.9[OH]2.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kapustinite
  • Pearson Symbol: mS66
  • Space Group: 12
  • Phase Prototype: Na8SnSi6O18
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; I > 1.96σ(I), R = 0.075
  • Sample Detail(s): kapustinite sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; Na5.38Y0.01Ce0.01Nd0.01U0.01Ca0.02Mn0.23Fe0.03Ti0.05Zr0.91Si6O15.91[OH]2.12, single crystal (determination of cell parameters), single crystal, 0.150×0.200×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na5.38Nd0.04Zr0.91Ti0.05Mn0.28Si6O15.9[OH]2.1
  • Alphabetic Formula: Mn0.28Na5.38Nd0.04O15.9[OH]2.1Si6Ti0.05Zr0.91
  • Published Formula: Na5.38Y0.01Ce0.01Nd0.01U0.01Ca0.02Mn0.23Fe0.03Ti0.05Zr0.91Si6O15.91(OH)2.12
  • Refined Formula: H2Mn0.24Na5.29Nd0.10O18Si6Ti0.05Zr0.91
  • Wyckoff Sequence: 12,j4i4hfecba
  • Z Formula Units: 2
  • Density: ρ = 2.80 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220469

  • 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