Inorganic Solid Phases

götzenite, (M1)4(M2)4(M3)4(M4)2(M5)2(Si2O7)4F4X4 (Na1.5Ca5.0Y0.3Zr0.1Ti0.8Nb0.1Mn0.2[Si2O7]2O0.9F3.1) Crystal Structure

General Information

  • Phase Label(s): Na1.5Ca5.0Y0.3Zr0.1Ti0.8Nb0.1Mn0.2[Si2O7]2O0.9F3.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): götzenite
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: (Na0.4Ca0.6)3Ca2(Ca0.9Zr0.1)2Ti0.8[Si2O7]2(O0.10[OH]0.05F0.85)4
  • 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; 145 variables; 3005 reflections, R = 0.040; wR = 0.085
  • Sample Detail(s): götzenite sample from Greenland, East Greenland, Werner Bjerge, Mt. Hvide Ryg, electron microprobe analysis; Si8.00Al0.02Ti1.80Zr0.18Nb0.13Mn0.23Fe0.10Ca10.20Sr0.03Na3.17Y0.12La0.16Ce0.26Nd0.04Gd0.03F7.05O29.84, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.5Ca5.0Y0.3Zr0.1Ti0.8Nb0.1Mn0.2[Si2O7]2O0.9F3.1
  • Alphabetic Formula: Ca5.0F3.1Mn0.2Na1.5Nb0.1O0.9[Si2O7]2Ti0.8Y0.3Zr0.1
  • Published Formula: götzenite, (M1)4(M2)4(M3)4(M4)2(M5)2(Si2O7)4F4X4
  • Refined Formula: Ca4.91Ce0.16F3Fe0.05La0.08Mn0.11Na1.59Nb0.03O15Si4Ti0.92Y0.06Zr0.09
  • Wyckoff Sequence: 2,i14hf
  • Z Formula Units: 1
  • 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
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_1220520

  • 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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