Inorganic Solid Phases

(Na0.38K0.12Ca1.8)Mg4.94Fe0.06(Al0.2Si7.8)O22(OH)1.34F0.66 (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 (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.040241 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement
  • Sample Detail(s): tremolite sample from U.S.A. New York, St. Lawrence County, Gouverneur district, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.14Na0.4Ca1.8Mg4.94Fe0.06Al0.2Si7.8O22[OH]1.34F0.66
  • Alphabetic Formula: Al0.2Ca1.8F0.66Fe0.06K0.14Mg4.94Na0.4O22[OH]1.34Si7.8
  • Published Formula: (Na0.38K0.12Ca1.8)Mg4.94Fe0.06(Al0.2Si7.8)O22(OH)1.34F0.66
  • Refined Formula: Al0.20Ca1.80F0.66Fe0.06H1.34K0.12Mg4.94Na0.38O23.34Si7.80
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.01 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221645

  • 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