Inorganic Solid Phases

(Ca1.7Na0.5K0.3)2.5(Mg3.0Fe+31.1Fe+20.5Ti0.2Al0.3)5.1(Si6.4Al1.6)8.0O22.0(OH)1.8 (K0.06Na0.36Ca1.69Mg3.34Ti0.14Fe1.54Al1.27Si6.9O22[OH]2) Crystal Structure

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): oscillation and Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu 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, R = 0.148
  • Sample Detail(s): amphibole group sample from Japan, Nagano Prefecture, Yatsugatake volcano, chemical analysis; 43.43 wt.% SiO2, 1.44 wt.% TiO2, 10.75 wt.% Al2O3, 9.43 wt.% Fe2O3, 4.39 wt.% FeO, 0.14 wt.% MnO, 13.82 wt.% MgO, 10.60 wt.% CaO, 1.72 wt.% Na2O, 1.38 wt.% K2O, 0.05 wt.% P2O5, 2.07 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.07×0.07×0.52 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.3Na0.5Ca1.7Mg3Ti0.2Fe1.6Al1.8Si6.4O22[OH]2
  • Alphabetic Formula: Al1.8Ca1.7Fe1.6K0.3Mg3Na0.5O22[OH]2Si6.4Ti0.2
  • Published Formula: (Ca1.7Na0.5K0.3)2.5(Mg3.0Fe+31.1Fe+20.5Ti0.2Al0.3)5.1(Si6.4Al1.6)8.0O22.0(OH)1.8
  • Refined Formula: Al1.90Ca1.70Fe1.56H2K0.30Mg2.96Na0.50O24Si6.40Ti0.18
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.19 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

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_1626361

  • 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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