Inorganic Solid Phases

Na0.037K0.290Ca0.013Na1.987Li0.334Mg0.011Mn0.182Fe2+2.299Fe3+2.025Ti0.016Al0.103Al0.252Si7.748O22OH0.892F1.253 (K0.29Na2.05Li0.33Mn0.18Fe4.37Al0.35Si7.75O22[OH]0.84F1.16) Crystal Structure

General Information

  • Phase Label(s): K0.29Na2.05Li0.33Mn0.18Fe4.37Al0.35Si7.75O22[OH]0.84F1.16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): riebeckite
  • Pearson Symbol: mS82
  • Space Group: 12
  • Phase Prototype: NaCa2Mg3(Mg0.5Al0.5)2(Al0.25Si0.75)8O22F2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer (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; 1158 reflections; F > 3σ(F), R = 0.036; wR = 0.037
  • Sample Detail(s): riebeckite sample from U.S.A. Colorado, Pike's Peak, chemical analysis; (Na0.037K0.290)(Ca0.013Na1.987)(Li0.334Mg0.011Mn0.182Fe2+2.299Fe3+2.025Ti0.016Al0.103)(Al0.252Si7.748)O22(OH0.892F1.253), single crystal (determination of cell parameters), single crystal, 0.05×0.07×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.29Na2.05Li0.33Mn0.18Fe4.37Al0.35Si7.75O22[OH]0.84F1.16
  • Alphabetic Formula: Al0.35F1.16Fe4.37K0.29Li0.33Mn0.18Na2.05O22[OH]0.84Si7.75
  • Published Formula: Na0.037K0.290Ca0.013Na1.987Li0.334Mg0.011Mn0.182Fe2+2.299Fe3+2.025Ti0.016Al0.103Al0.252Si7.748O22OH0.892F1.253
  • Refined Formula: Al0.35F1.17Fe4.37H0.83K0.29Li0.34Mn0.18Na2.05O22.83Si7.76
  • Wyckoff Sequence: 12,j7i3h2ga
  • Z Formula Units: 2
  • Density: ρ = 3.38 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
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_1012974

  • 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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