Inorganic Solid Phases

Ca4(Ca1.2Na0.8)NaTi(Si2O7)2(F,OH,O)4 (Na1.8Ca5.2Ti[Si2O7]2[OH]2F2) Crystal Structure

General Information

  • Phase Label(s): Na1.8Ca5.2Ti[Si2O7]2[OH]2F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): götzenite
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: Na(Na0.4Ca0.6)2Ca4Ti[Si2O7]2([OH]0.5F0.5)4
  • Measurement Detail(s): Weissenberg photographs (determination of structural parameters), X-rays, Cu K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; twinning mechanism studied, full-matrix least-squares refinement, R = 0.08
  • Sample Detail(s): götzenite sample from Democratic Republic of Congo (Zaire), Kivu, Mt. Shaheru, single crystal, 0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.8Ca5.2Ti[Si2O7]2[OH]2F2
  • Alphabetic Formula: Ca5.2F2Na1.8[OH]2[Si2O7]2Ti
  • Published Formula: Ca4(Ca1.2Na0.8)NaTi(Si2O7)2(F,OH,O)4
  • Refined Formula: Ca5.20F2H2Na1.80O16Si4Ti
  • Wyckoff Sequence: 2,i14ca
  • Z Formula Units: 1
  • Density: ρ = 3.00 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1610367

  • 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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