Inorganic Solid Phases

Na0.01Ca0.02Mg5.71Fe1.24Mn0.02(Si7.95Al0.05)O22(OH)2 (Na0.01Ca0.02Mg5.71Mn0.02Fe1.24Al0.05Si7.95O22[OH]2) 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; 48 (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
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 191 variables; 1316 reflections; F > 6σ(F), R = 0.034; wR = 0.035
  • Sample Detail(s): anthophyllite sample from Austria, Styria, Gleinalpe, Ochsenkogel, sample prepared from anthophyllite, chemical analysis; Na0.01Ca0.02Mg5.71Fe2+1.17Fe3+0.07Mn2+0.02(Si7.95Al0.05)O22[OH]2, single crystal (determination of cell parameters), single crystal, 0.05×0.12×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.01Ca0.02Mg5.71Mn0.02Fe1.24Al0.05Si7.95O22[OH]2
  • Alphabetic Formula: Al0.05Ca0.02Fe1.24Mg5.71Mn0.02Na0.01O22[OH]2Si7.95
  • Published Formula: Na0.01Ca0.02Mg5.71Fe1.24Mn0.02(Si7.95Al0.05)O22(OH)2
  • Refined Formula: Fe1.29H2Mg5.71O24Si8
  • 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
B [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_1713181

  • 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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