Inorganic Solid Phases

ND4NO3, phase V ([ND4][NO3] lt, T = 78 K) Crystal Structure

General Information

  • Phase Label(s): [ND4][NO3] lt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 56
  • Phase Prototype: [NH4][NO3]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR (determination of structural parameters), neutrons; λ = 0.1542 nm (determination of cell and structural parameters), T = 78 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): nitrate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 458 reflections, RP = 0.0240; wRP = 0.0306; RB = 0.0363
  • Sample Detail(s): sample prepared from NH4NO3, D2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [ND4][NO3]
  • Alphabetic Formula: [ND4][NO3]
  • Published Formula: ND4NO3, phase V
  • Refined Formula: D4N2O3
  • Wyckoff Sequence: 56,e3d2c2
  • Z Formula Units: 8
  • Density: ρ = 1.83 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1614272

  • 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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