Inorganic Solid Phases

Lunar Anorthite, An94 (Na0.4Ca0.6Al1.6Si2.4O8) Crystal Structure

General Information

  • Phase Label(s): Na0.4Ca0.6Al1.6Si2.4O8
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s): albite/anorthite low
  • Pearson Symbol: aP26
  • Space Group: 2
  • Phase Prototype: NaAlSi3O8
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 5145 reflections; I > 3σ(I), wR = 0.042
  • Sample Detail(s): anorthite sample from Moon, electron microprobe analysis; 44.70 wt.% SiO2, 36.17 wt.% Al2O3, 0.03 wt.% FeO, 19.06 wt.% CaO, 0.33 wt.% Na2O, 0.07 wt.% K2O, powder (determination of cell parameters), single crystal, 0.09×0.09×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.06Ca0.94Al1.94Si2.06O8
  • Alphabetic Formula: Al1.94Ca0.94Na0.06O8Si2.06
  • Published Formula: Lunar Anorthite, An94
  • Refined Formula: Al1.94Ca0.94Na0.03O8Si2.06
  • Wyckoff Sequence: 2,i54
  • Z Formula Units: 8
  • Density: ρ = 2.76 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_1922343

  • 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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