Inorganic Solid Phases

(Na0.08K0.05)(Ca1.85Na0.15)(Mg1.96Fe0.04)(Mg1.95Fe0.02Mn0.01Ti0.01Zn0.01)(Mg0.84Al0.08Fe0.08)(Si7.93Al0.06B0.01)O22(OHF) (K0.14Na0.4Ca1.8Mg4.94Fe0.06Al0.2Si7.8O22[OH]1.34F0.66) Crystal Structure

General Information

  • Phase Label(s): K0.14Na0.4Ca1.8Mg4.94Fe0.06Al0.2Si7.8O22[OH]1.34F0.66
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tremolite
  • Pearson Symbol: mS86
  • Space Group: 12
  • Phase Prototype: K0.1Na0.9Ca1.7Mg2.65Ti0.2Fe1.6Al0.7(Al0.22Si0.78)8O22[OH]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, full-matrix least-squares refinement on F; 1064 reflections; I > 3σ(I), R = 0.024
  • Sample Detail(s): tremolite sample from Russia, Tuva, Tastyg deposit, electron microprobe analysis, secondary ion mass spectrometry; (Na0.08K0.05)(Ca1.85Na0.15)(Mg1.96Fe0.04)(Mg1.95Fe0.02Mn0.01Ti0.01Zn0.01)(Mg0.84Al0.08Fe0.08)(Si7.93Al0.06B0.01)O22[OH1.67F0.33], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.05Na0.23Ca1.85Mg4.78Fe0.24Al0.24Si7.94O22[OH]1.67F0.33
  • Alphabetic Formula: Al0.24Ca1.85F0.33Fe0.24K0.05Mg4.78Na0.23O22[OH]1.67Si7.94
  • Published Formula: (Na0.08K0.05)(Ca1.85Na0.15)(Mg1.96Fe0.04)(Mg1.95Fe0.02Mn0.01Ti0.01Zn0.01)(Mg0.84Al0.08Fe0.08)(Si7.93Al0.06B0.01)O22(OHF)
  • Refined Formula: Al0.14Ca1.85F0.32Fe0.14H1.68K0.05Mg4.78Na0.23O23.68Si7.94
  • Wyckoff Sequence: 12,j7i3h2g2a
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1601195

  • 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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