Inorganic Solid Phases

Na(LiNa)(Fe2Mg2Li)Si8O22(OH)2 (Na2.7Li2.1Ca0.08Mg2.6Fe3.3Al0.5Si8O22[OH]1.4F0.6) Crystal Structure

General Information

  • Phase Label(s): Na2.7Li2.1Ca0.08Mg2.6Fe3.3Al0.5Si8O22[OH]1.4F0.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sodic-ferripedrizite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na1.2Ca0.4Mg4Mn0.9Fe0.7Si8O22([OH]0.8F0.2)2
  • Measurement Detail(s): automatic diffractometer; 50 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, 934 reflections; I > 5σ(I), R = 0.017
  • Sample Detail(s): ferripedrizite sample from Spain, Central System, East Pedriza, electron microprobe analysis; 57.70 wt.% SiO2, 1.26 wt.% Al2O3, 15.81 wt.% Fe2O3, 2.79 wt.% FeO, 8.45 wt.% MgO, 3.98 wt.% Li2O, 4.78 wt.% Na2O et al., single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.31Li2.25Ca0.08Mg1.82Fe2.05Al0.22Si8O22[OH]1.4F0.6
  • Alphabetic Formula: Al0.22Ca0.08F0.6Fe2.05Li2.25Mg1.82Na1.31O22[OH]1.4Si8
  • Published Formula: Na(LiNa)(Fe2Mg2Li)Si8O22(OH)2
  • Refined Formula: Al0.20Ca0.16F0.66Fe2.18HLi2.39Mg1.76Na2.15O23.34Si8
  • Wyckoff Sequence: 12,j7i3h3gba
  • Z Formula Units: 2
  • Density: ρ = 3.14 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [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_1617832

  • 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