Inorganic Solid Phases

(Na0.64K0.01)(Li1.93Ca0.04Na0.03)(Mg1.69Fe0.31)(Al1.98Cr0.01Zn0.01)(Li0.64Fe0.21Mg0.13Mn0.02)(Si7.96Al0.04)O22F1.1OH0.9 (Na0.7Li2.7Mg1.8Fe0.5Al2.0Si8O22[OH]0.9F1.1) Crystal Structure

General Information

  • Phase Label(s): Na0.7Li2.7Mg1.8Fe0.5Al2.0Si8O22[OH]0.9F1.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): pedrizite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)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): positions of non-H atoms determined, full-matrix least-squares refinement on F; 931 reflections; I > 3σ(I), R = 0.023
  • Sample Detail(s): fluoro-sodic-pedrizite sample from Russia, Tuva, Tastyg deposit, electron microprobe analysis, secondary ion mass spectrometry; (Na0.64K0.01)(Li1.93Ca0.04Na0.03)(Mg1.69Fe2+0.31)(Al1.98Cr0.01Zn0.01)(Li0.64Fe2+0.21Mg0.13Mn0.02)(Si3.96Al0.04)Si4O22[F1.1OH0.9], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.7Li2.7Mg1.8Fe0.5Al2.0Si8O22[OH]0.9F1.1
  • Alphabetic Formula: Al2.0F1.1Fe0.5Li2.7Mg1.8Na0.7O22[OH]0.9Si8
  • Published Formula: (Na0.64K0.01)(Li1.93Ca0.04Na0.03)(Mg1.69Fe0.31)(Al1.98Cr0.01Zn0.01)(Li0.64Fe0.21Mg0.13Mn0.02)(Si7.96Al0.04)O22F1.1OH0.9
  • Refined Formula: Al2.04Ca0.04F1.10Fe0.52H0.90K0.01Li2.57Mg1.82Mn0.02Na0.67O22.90Si7.96
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.02 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601194

  • 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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