Inorganic Solid Phases

Ca(Cu,Mg)(AsO₄)(OH) (CaMg_0.13Cu_0.87[AsO₄][OH]) Crystal Structure

Get Access CIF Download help (pdf)

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

General Information

Phase Label(s): CaMg_0.13Cu_0.87[AsO₄][OH]
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): conichalcite
Pearson Symbol: oP32
Space Group: 19
Phase Prototype: CaCu[AsO₄][OH]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): arsenate, hydroxide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 78 variables; 875 reflections, R = 0.0361; wR = 0.0778
Sample Detail(s): conichalcite sample from U.S.A. Arizona, Higgins mine, electron microprobe analysis; Ca(Cu_0.96Mg_0.04)[AsO₄][OH], single crystal (determination of cell parameters), single crystal, 0.093×0.093×0.096 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: CaMg_0.04Cu_0.96[AsO₄][OH]
Alphabetic Formula: [AsO₄]CaCu_0.96Mg_0.04[OH]
Published Formula: Ca(Cu,Mg)(AsO₄)(OH)
Refined Formula: AsCaCu_0.96HMg_0.04O₅
Wyckoff Sequence: 19,a⁸
Z Formula Units: 4
Density: ρ = 4.32 Mg·m⁻³

View 3D Interactive Structure

Cite this page

Citation

Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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.
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Experimental Details

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

Reference

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

3D Interactive Structure

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1223397

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(Cu,Mg)(AsO4)(OH) (CaMg0.13Cu0.87[AsO4][OH]) Crystal Structure sd_1223397 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied