Inorganic Solid Phases

[Mg,(Ti,Zr),☐]2Mg6(Al,Mg)6(Si,P)8O28(OH)10 (Mg3.4Ti0.3Al3Si4O14[OH]5, T = 683 K) Crystal Structure

General Information

  • Phase Label(s): Mg3.4Ti0.3Al3Si4O14[OH]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ellenbergerite
  • Pearson Symbol: hP60
  • Space Group: 173
  • Phase Prototype: Mg3(Mg0.7Ti0.3)Al3Si4O14[OH]5
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 683 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, 60 variables; 384 reflections; I > 3σ(I), R = 0.032
  • Sample Detail(s): ellenbergerite sample from Italy, Alps, Piedmont, Dora Maira massif, electron microprobe analysis; 40.5 wt.% SiO2, 25.1 wt.% Al2O3, 4.1 wt.% TiO2, 20.9 wt.% MgO, 0.2 wt.% FeO, 0.3 wt.% P2O5, single crystal (determination of cell parameters), single crystal, 0.05×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg3.4Ti0.3Al3Si4O14[OH]5
  • Alphabetic Formula: Al3Mg3.4O14[OH]5Si4Ti0.3
  • Published Formula: [Mg,(Ti,Zr),☐]2Mg6(Al,Mg)6(Si,P)8O28(OH)10
  • Refined Formula: Al3H5Mg3.70O19Si4Ti0.30
  • Wyckoff Sequence: 173,c9b2a
  • Z Formula Units: 2
  • Density: ρ = 3.08 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_1618049

  • 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

    Citation copied