Inorganic Solid Phases

CuNH4PO4·H2O ([NH4]Cu[PO4][H2O] orth) Crystal Structure

General Information

  • Phase Label(s): [NH4]Cu[PO4][H2O] orth
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP16
  • Space Group: 31
  • Phase Prototype: [NH4]Co[PO4][H2O]
  • Measurement Detail(s): automatic diffractometer; HZG-4A (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 39 variables, R = 0.045; RP = 0.041; wRP = 0.064; RB = 0.047
  • Sample Detail(s): sample prepared from CuCl2, [NH4]2HPO4, chemical analysis; 30.9 wt.% Cu, 15.5 wt.% P, 9.2 wt.% NH4, 9.2 wt.% H2O; amounts of CuNH4PO4[H2O] monoclinic (14 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]Cu[PO4][H2O]
  • Alphabetic Formula: Cu[H2O][NH4][PO4]
  • Published Formula: CuNH4PO4·H2O
  • Refined Formula: CuH6NO5P
  • Wyckoff Sequence: 31,ba6
  • Z Formula Units: 2
  • Density: ρ = 2.75 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_1907174

  • 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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