Inorganic Solid Phases

rosenbuschite, Si8.00Ti0.92Sn0.02Zr2.56Hf0.04Nb0.16Ta0.01Mg0.02Mn0.21Fe0.11Ca6.70Sr0.02Na4.75Y0.14Ce0.01F6.04O30.23 (Na4.75Ca6.7Y0.15Zr2.6Ti0.9Nb0.16Mn0.3[Si2O7]4O2F6) Crystal Structure

General Information

  • Phase Label(s): Na4.75Ca6.7Y0.15Zr2.6Ti0.9Nb0.16Mn0.3[Si2O7]4O2F6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rosenbuschite
  • Pearson Symbol: aP60
  • Space Group: 2
  • Phase Prototype: Na5Ca7Zr2(Ti0.66Nb0.17Mn0.17)2[Si2O7]4O3F5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 287 variables; 5895 reflections, R = 0.049; wR = 0.085
  • Sample Detail(s): rosenbuschite sample from Norway, Oslo Region, Langesundsfjorden, Lille Aro Island, electron microprobe analysis; Si8.00Ti0.92Sn0.02Zr2.56Hf0.04Nb0.16Ta0.01Mg0.02Mn0.21Fe0.11Ca6.70Sr0.02Na4.75Y0.14Ce0.01F6.04O30.23, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4.75Ca6.7Y0.15Zr2.6Ti0.9Nb0.16Mn0.3[Si2O7]4O2F6
  • Alphabetic Formula: Ca6.7F6Mn0.3Na4.75Nb0.16O2[Si2O7]4Ti0.9Y0.15Zr2.6
  • Published Formula: rosenbuschite, Si8.00Ti0.92Sn0.02Zr2.56Hf0.04Nb0.16Ta0.01Mg0.02Mn0.21Fe0.11Ca6.70Sr0.02Na4.75Y0.14Ce0.01F6.04O30.23
  • Refined Formula: Ca7.50Ce0.03F6Fe0.11Hf0.04Mn0.22Na4.38Nb0.17O30Si8Ti0.95Y0.15Zr2.45
  • Wyckoff Sequence: 2,i28fdba
  • Z Formula Units: 1
  • Density: ρ = 3.30 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220523

  • 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