Inorganic Solid Phases

MgCl2·10D2O (MgCl2[D2O]10 hp, p = 2.5 GPa) Crystal Structure

General Information

  • Phase Label(s): MgCl2[D2O]10 hp
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS26
  • Space Group: 12
  • Phase Prototype: MgCl2[H2O]10
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Proton Accelerator Research Complex J-PARC, MLF, BL-11, PLANET (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters), p = 2.5 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 2390 reflections, RP = 0.025; wRP = 0.028; RB = 0.20166
  • Sample Detail(s): sample prepared from MgCl2[H2O]6, D2O, amounts of ice VII, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: MgCl2[D2O]10
  • Alphabetic Formula: Cl2[D2O]10Mg
  • Published Formula: MgCl2·10D2O
  • Refined Formula: Cl2D20MgO10
  • Wyckoff Sequence: 12,ji3gc
  • Z Formula Units: 2
  • Density: ρ = 1.84 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1142224

  • 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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