Inorganic Solid Phases

(Mn_3.81Ca_0.51Fe_0.33Mg_0.35)Si₅O₁₅ (Ca_0.715Mg_0.21Mn_3.975Fe_0.10Si₅O₁₅) Crystal Structure

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General Information

Phase Label(s): Ca_0.715Mg_0.21Mn_3.975Fe_0.10Si₅O₁₅
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): rhodonite
Pearson Symbol: aP50
Space Group: 2
Phase Prototype: CaMn₄Si₅O₁₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 273 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 227 variables; 2675 reflections; I > 2σ(I), R = 0.0242; wR = 0.0623
Sample Detail(s): rhodonite sample from Brazil, Minas Gerais, Conselheiro Lafaiete, Morro da Mina mine, electron microprobe analysis; (Mn_3.76Ca_0.50Mg_0.34Fe_0.33)(Si_4.97O_0.03)O₁₅, single crystal (determination of cell parameters), single crystal, 0.45×0.45×0.45 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ca_0.51Mg_0.35Mn_3.81Fe_0.33Si₅O₁₅
Alphabetic Formula: Ca_0.51Fe_0.33Mg_0.35Mn_3.81O₁₅Si₅
Published Formula: (Mn_3.81Ca_0.51Fe_0.33Mg_0.35)Si₅O₁₅
Refined Formula: Ca_0.51Fe_0.33Mg_0.35Mn_3.81O₁₅Si₅
Wyckoff Sequence: 2,i²⁵
Z Formula Units: 2
Density: ρ = 3.67 Mg·m⁻³

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Citation

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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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1628188

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 (Mn3.81Ca0.51Fe0.33Mg0.35)Si5O15 (Ca0.715Mg0.21Mn3.975Fe0.10Si5O15) Crystal Structure sd_1628188 (Springer-Verlag GmbH, Heidelberg, © 2016)

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(Mn3.81Ca0.51Fe0.33Mg0.35)Si5O15 (Ca0.715Mg0.21Mn3.975Fe0.10Si5O15) Crystal Structure

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General Information

Substance Summary

Cite this page

Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

Download this citation

(Mn_3.81Ca_0.51Fe_0.33Mg_0.35)Si₅O₁₅ (Ca_0.715Mg_0.21Mn_3.975Fe_0.10Si₅O₁₅) Crystal Structure