Inorganic Solid Phases

NaCa4Si8O20F·8H2O (NaCa4Si8O20F[H2O]8) Crystal Structure

General Information

  • Phase Label(s): NaCa4Si8O20F[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluorapophyllite-(Na)
  • Pearson Symbol: oP84
  • Space Group: 58
  • Phase Prototype: NaCa4Si8O20F[H2O]8
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154050 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 563 reflections, R = 0.056
  • Sample Detail(s): natroapophyllite sample from Japan, Okayama Prefecture, Sampo mine, electron microprobe analysis; 52.79 wt.% SiO2, 25.41 wt.% CaO, 3.05 wt.% Na2O, 0.33 wt.% K2O, 2.27 wt.% F, 17.11 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCa4Si8O20F[H2O]8
  • Alphabetic Formula: Ca4F[H2O]8NaO20Si8
  • Published Formula: NaCa4Si8O20F·8H2O
  • Refined Formula: Ca4FH16NaO28Si8
  • Wyckoff Sequence: 58,h9g2ba
  • Z Formula Units: 2
  • Density: ρ = 2.38 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213159

  • 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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