Inorganic Solid Phases

CaSO₄·0.5D₂O (Ca₂[SO₄]₂[D₂O] ht) Crystal Structure

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General Information

Phase Label(s): Ca₂[SO₄]₂[D₂O] ht
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hP39
Space Group: 144
Phase Prototype: Ca₂[SO₄]₂[H₂O]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), X-rays, synchrotron; λ = 0.15930 nm (determination of cell parameters), T = 433 K (determination of cell parameters)
Phase Class(es): –
Compound Class(es): sulfate, hydrate-D
Interpretation Detail(s): cell parameters determined and structure type assigned
Sample Detail(s): sample prepared from α-CaSO₄[H₂O]_0.5, D₂O, powder (determination of cell parameters)

Substance Summary

Standard Formula: Ca₂[SO₄]₂[D₂O]
Alphabetic Formula: Ca₂[D₂O][SO₄]₂
Published Formula: CaSO₄·0.5D₂O
Refined Formula: –
Wyckoff Sequence: –
Z Formula Units: 3
Density: ρ = 2.77 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1217817

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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials CaSO4·0.5D2O (Ca2[SO4]2[D2O] ht) Crystal Structure sd_1217817 (Springer-Verlag GmbH, Heidelberg, © 2016)

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