Inorganic Solid Phases

SiP2O7, hp (Si[P2O7] hp) Crystal Structure

General Information

  • Phase Label(s): Si[P2O7] hp
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP20
  • Space Group: 14
  • Phase Prototype: Si[P2O7]
  • Measurement Detail(s): automatic diffractometer; 770 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diphosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 50 variables; 502 reflections; I > 2σ(I), R = 0.0257; wR = 0.0671
  • Sample Detail(s): sample prepared from Si5O[PO4]6, H2O, electron microprobe analysis; 11.1(4) at.% Si, 19.1(4) at.% P, 69.84(6) at.% O, single crystal (determination of cell parameters), single crystal, 0.034×0.048×0.072 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Si[P2O7]
  • Alphabetic Formula: [P2O7]Si
  • Published Formula: SiP2O7, hp
  • Refined Formula: O7P2Si
  • Wyckoff Sequence: 14,e4da
  • Z Formula Units: 2
  • Density: ρ = 3.56 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1934041

  • 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.

    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)

  • Cite this content

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