Inorganic Solid Phases

[Na₂(H₂O)₂]{(Mg_4.5Fe_0.5)(PO₄)₄(H₂O)₅} (Na₂Mg_4.5Fe_0.5[PO₄]₄[H₂O]₇, T = 193 K) Crystal Structure

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General Information

Phase Label(s): Na₂Mg_4.5Fe_0.5[PO₄]₄[H₂O]₇
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): bakhchisaraitsevite
Pearson Symbol: mP140
Space Group: 14
Phase Prototype: Na₂Mg_4.5Fe_0.5[PO₄]₄[H₂O]₇
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 193 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthophosphate, hydrate
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 369 variables; 3527 reflections; I > 2σ(I), R = 0.033
Sample Detail(s): bakhchisaraitsevite sample from, electron microprobe analysis; (Na_1.90Ca_0.01)(Mg_4.54Fe²⁺_0.51Mn_0.08)P₄O_16.09[H₂O]₇, single crystal (determination of cell parameters), single crystal, 0.05×0.08×0.1 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Na₂Mg_4.5Fe_0.5[PO₄]₄[H₂O]₇
Alphabetic Formula: Fe_0.5[H₂O]₇Mg_4.5Na₂[PO₄]₄
Published Formula: [Na₂(H₂O)₂]{(Mg_4.5Fe_0.5)(PO₄)₄(H₂O)₅}
Refined Formula: Fe_0.53H₁₄Mg_4.47Na₂O₂₃P₄
Wyckoff Sequence: 14,e³⁵
Z Formula Units: 4
Density: ρ = 2.50 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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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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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_1014037

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 [Na2(H2O)2]{(Mg4.5Fe0.5)(PO4)4(H2O)5} (Na2Mg4.5Fe0.5[PO4]4[H2O]7, T = 193 K) Crystal Structure sd_1014037 (Springer-Verlag GmbH, Heidelberg, © 2016)

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