Inorganic Solid Phases

(Na0.40K0.04)(Ca1.46Mn0.02Fe2+0.06Na0.46)(Al0.08Fe2+0.43Fe3+0.75Cr0.08Mg3.60)(Si7.02Al0.98)O22(OH)2 (Na0.9Ca1.46Mg3.6Cr0.08Mn0.02Fe1.24Al1.06Si7.02O21.79[OH]2.21) Crystal Structure

General Information

  • Phase Label(s): Na0.9Ca1.46Mg3.6Cr0.08Mn0.02Fe1.24Al1.06Si7.02O21.79[OH]2.21
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesio-hornblende
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1410 reflections, R = 0.0616; wR = 0.1101
  • Sample Detail(s): hornblende sample from meteorite La Paz Icefield, Antarctica, electron microprobe analysis; (Na0.40K0.04)(Ca1.46Mn0.02Fe2+0.06Na0.46)(Al0.08Fe2+0.43Fe3+0.75Cr0.08Mg3.60)(Si7.02Al0.98)O22[OH]2, single crystal (determination of cell parameters), single crystal, 0.076×0.095×0.135 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.9Ca1.46Mg3.6Cr0.08Mn0.02Fe1.24Al1.06Si7.02O21.79[OH]2.21
  • Alphabetic Formula: Al1.06Ca1.46Cr0.08Fe1.24Mg3.6Mn0.02Na0.9O21.79[OH]2.21Si7.02
  • Published Formula: (Na0.40K0.04)(Ca1.46Mn0.02Fe2+0.06Na0.46)(Al0.08Fe2+0.43Fe3+0.75Cr0.08Mg3.60)(Si7.02Al0.98)O22(OH)2
  • Refined Formula: Al0.96Ca1.46Fe1.40H2Mg3.68Na1.22O24Si7.04
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.12 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_1223455

  • 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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