Inorganic Solid Phases

Ba_0.5Ti₂(PO₄)₃ (BaTi₄[PO₄]₆, T = 1073 K) 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): BaTi₄[PO₄]₆
Structure Class(es): Nasicon family
Classification by Properties: ionic conductor
Mineral Name(s): –
Pearson Symbol: hR105
Space Group: 148
Phase Prototype: CaTi₄[PO₄]₆
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 1073 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthophosphate
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 38 variables, R_P = 0.0645; wR_P = 0.0290
Sample Detail(s): sample prepared from TiO₂ rutile, [NH₄]₂HPO₄, BaCO₃, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_0.5Ti₂[PO₄]₃
Alphabetic Formula: Ba_0.5[PO₄]₃Ti₂
Published Formula: Ba_0.5Ti₂(PO₄)₃
Refined Formula: Ba_0.50O₁₂P₃Ti₂
Wyckoff Sequence: 167,f²ecb
Z Formula Units: 6
Density: ρ = 3.20 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

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_1520374

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 Ba0.5Ti2(PO4)3 (BaTi4[PO4]6, T = 1073 K) Crystal Structure sd_1520374 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied