Inorganic Solid Phases

Na0.04(Mg1.30Mn0.57Ca0.09Na0.04)(Mg4.96Fe0.02Al0.02)(Si7.99Al0.01)O22(OH)2 (Na0.01Ca0.02Mg5.71Mn0.02Fe1.24Al0.05Si7.95O22[OH]2, p = 1.98(2) GPa) Crystal Structure

General Information

  • Phase Label(s): Na0.01Ca0.02Mg5.71Mn0.02Fe1.24Al0.05Si7.95O22[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): anthophyllite O
  • Pearson Symbol: oP156
  • Space Group: 62
  • Phase Prototype: Na0.1Li1.8Mg1.75Fe1.45Al1.95Si7.9O22.1[OH]1.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071070 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters), p = 1.98(2) GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 66 variables; 463 reflections; F > 4σ(F), R = 0.0727; wR = 0.1289
  • Sample Detail(s): anthophyllite sample from U.S.A. New York, Talcville, electron microprobe analysis; Na0.04(Mg1.30Mn0.57Ca0.09Na0.04)(Mg4.96Fe0.02Al0.02)(Si7.99Al0.01)O22[OH]2, single crystal (determination of cell parameters), single crystal, 0.05×0.12×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.07Ca0.09Mg6.26Mn0.57Fe0.02Al0.03Si7.99O22[OH]2
  • Alphabetic Formula: Al0.03Ca0.09Fe0.02Mg6.26Mn0.57Na0.07O22[OH]2Si7.99
  • Published Formula: Na0.04(Mg1.30Mn0.57Ca0.09Na0.04)(Mg4.96Fe0.02Al0.02)(Si7.99Al0.01)O22(OH)2
  • Refined Formula: H2Mg6.48Mn0.52O24Si8
  • Wyckoff Sequence: 62,d17c5
  • Z Formula Units: 4
  • Density: ρ = 3.09 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226015

  • 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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