Inorganic Solid Phases

NaCa2[Mg3(Al,Fe)2]Si5Al3O22(OH)2 (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
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: NaCa2Mg2(Mg0.67Sc0.33)3(Al0.25Si0.75)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (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): complete structure determined, full-matrix least-squares refinement on F2; 102 variables; 962 reflections; F2 > 2σ(F2), R = 0.028; wR = 0.128
  • Sample Detail(s): magnesiosadanagaite sample from Japan, Gifu Prefecture, Kasuga, electron microprobe analysis; K0.274Na0.734Ca1.974Mg3.071Ti0.288Cr0.002Mn0.017Fe0.784Al3.386Si5.470Cl0.034O22[OH]1.893F0.073, single crystal (determination of cell parameters), single crystal, 0.07×0.17×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.274Na0.734Ca1.991Mg3.071Ti0.288Fe0.784Al3.386Si5.470O22[OH]2
  • Alphabetic Formula: Al3.386Ca1.991Fe0.784K0.274Mg3.071Na0.734O22[OH]2Si5.470Ti0.288
  • Published Formula: NaCa2[Mg3(Al,Fe)2]Si5Al3O22(OH)2
  • Refined Formula: Al3.59Ca1.99Fe0.78H2K0.27Mg3.07Na0.74O24Si5.27Ti0.29
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.17 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_1121176

  • 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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