Inorganic Solid Phases

Ca(Fe,Mg)(CO₃)₂ (CaMg_0.5Fe_0.5[CO₃]₂, p = 4.00 GPa) Crystal Structure

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General Information

Phase Label(s): CaMg_0.5Fe_0.5[CO₃]₂
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): ankerite/dolomite
Pearson Symbol: hR30
Space Group: 148
Phase Prototype: CaMg[CO₃]₂
Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), p = 4.00 GPa (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): carbonate
Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 91 reflections; I > 2σ(I), R = 0.022; wR = 0.014
Sample Detail(s): ankerite sample from (U.S.A. Washington D.C., Smithsonian Institution), electron microprobe analysis; Ca_0.997Mg_0.273Fe_0.676Mn_0.054[CO₃]₂, single crystal (determination of cell parameters), single crystal, 0.050×0.050×0.075 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: CaMg_0.27Fe_0.73[CO₃]₂
Alphabetic Formula: [CO₃]₂CaFe_0.73Mg_0.27
Published Formula: Ca(Fe,Mg)(CO₃)₂
Refined Formula: C₂CaFe_0.73Mg_0.27O₆
Wyckoff Sequence: 148,fcba
Z Formula Units: 3
Density: ρ = 3.28 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 B [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_1611075

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 Ca(Fe,Mg)(CO3)2 (CaMg0.5Fe0.5[CO3]2, p = 4.00 GPa) Crystal Structure sd_1611075 (Springer-Verlag GmbH, Heidelberg, © 2016)

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