Inorganic Solid Phases

Ca(ND2)2, ht (Ca[ND2]2 ht, T = 380 K) Crystal Structure

General Information

  • Phase Label(s): Ca[ND2]2 ht
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI12
  • Space Group: 141
  • Phase Prototype: TiO2
  • Measurement Detail(s): Simon-Guinier film (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E2 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), neutrons; λ = 0.121 nm (determination of structural parameters), T = 383 K (determination of cell parameters), T = 380 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): amide-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.033; RB = 0.051
  • Sample Detail(s): sample prepared from Ca, ND3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca[ND2]2
  • Alphabetic Formula: Ca[ND2]2
  • Published Formula: Ca(ND2)2, ht
  • Refined Formula: CaD4N2
  • Wyckoff Sequence: 141,eb
  • Z Formula Units: 4
  • Density: ρ = 1.85 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_1935609

  • 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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