Inorganic Solid Phases

(Si6.90Al1.10)(Al0.17Ti0.14Fe2+0.43Fe3+1.11Mn0.05Mg3.29)(Ca1.69Na0.36K0.06)O23Hx (K0.06Na0.36Ca1.69Mg3.34Ti0.14Fe1.54Al1.27Si6.9O22[OH]2) Crystal Structure

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General Information

  • Phase Label(s): K0.06Na0.36Ca1.69Mg3.34Ti0.14Fe1.54Al1.27Si6.9O22[OH]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): magnesiosadanagaite [not IMA]
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: NaCa2Mg2(Mg0.67Sc0.33)3(Al0.25Si0.75)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Rigaku AFC5UD (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, full-matrix least-squares refinement; 2234 reflections; I > 3σ(I), wR = 0.076
  • Sample Detail(s): hornblende sample from Japan, Kagoshima Prefecture, Kawanabe, electron microprobe analysis; (Si6.90Al1.10)(Al0.17Ti0.14Fe3+1.11Fe2+0.43Mn2+0.05Mg3.29)(Ca1.69Na0.36K0.06)O23Hx, single crystal (determination of cell parameters), single crystal, 0.10×0.20×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na0.3Ca1.7Mg3.3Ti0.1Fe1.5Al1.2Si6.9O22[OH]2
  • Alphabetic Formula: Al1.2Ca1.7Fe1.5K0.1Mg3.3Na0.3O22[OH]2Si6.9Ti0.1
  • Published Formula: (Si6.90Al1.10)(Al0.17Ti0.14Fe2+0.43Fe3+1.11Mn0.05Mg3.29)(Ca1.69Na0.36K0.06)O23Hx
  • Refined Formula: Al1.24Ca1.70Fe1.58H2K0.04Mg3.28Na0.42O24Si6.92Ti0.14
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.14 Mg·m−3
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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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616440

  • 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)

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