Inorganic Solid Phases

[C(NH2)3]4P2O7·H2O ([CN3H6]4[P2O7][H2O]) Crystal Structure

General Information

  • Phase Label(s): [CN3H6]4[P2O7][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP52
  • Space Group: 4
  • Phase Prototype: [CN3H6]4[P2O7][H2O]
  • Measurement Detail(s): photographs (determination of cell and structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): diphosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.108
  • Sample Detail(s): sample prepared from guanidinium carbonate, H4P2O7, chemical analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [CN3H6]4[P2O7][H2O]
  • Alphabetic Formula: [CN3H6]4[H2O][P2O7]
  • Published Formula: [C(NH2)3]4P2O7·H2O
  • Refined Formula: C4H26N12O8P2
  • Wyckoff Sequence: 4,a26
  • Z Formula Units: 2
  • Density: ρ = 1.56 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1700351

  • 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

    Citation copied