Zr(HPO4)0.85(HPO3)1.15·0.5H2O (H0.85Zr[PHO3]1.15[PO4]0.85[H2O]0.5) Crystal Structure
General Information
- Phase Label(s): H0.85Zr[PHO3]1.15[PO4]0.85[H2O]0.5
- Structure Class(es): –
- Classification by Properties: –
- Mineral Name(s): –
- Pearson Symbol: mS42
- Space Group: 12
- Phase Prototype: H1.7Zr2[PHO3]2.3[PO4]1.7[H2O]
- Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): phosphite, orthophosphate, hydrate
- Interpretation Detail(s): positions of non-H and part of H atoms determined, Rietveld refinement; 38 variables, RP = 0.079; wRP = 0.104
- Sample Detail(s): sample prepared from ZrOCl2, H3PO3, H3PO4, powder (determination of cell and structural parameters)
Substance Summary
- Standard Formula: H0.85Zr[PHO3]1.15[PO4]0.85[H2O]0.5
- Alphabetic Formula: H0.85[H2O]0.5[PHO3]1.15[PO4]0.85Zr
- Published Formula: Zr(HPO4)0.85(HPO3)1.15·0.5H2O
- Refined Formula: H2O7.35P2Zr
- Wyckoff Sequence: 5,c11
- Z Formula Units: 4
- Density: ρ = 2.79 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1214945
©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016
Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland
SpringerMaterials Release 2016.
Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS
All Rights Reserved. Version 2016.10.
Project Coordinator: Shuichi Iwata
Section-Editor: Karin Cenzual (Crystal Structures)
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