Inorganic Solid Phases

CaNa2H2(PO4)2·3H2O (Na2Ca[P2O7][H2O]4 mon1) Crystal Structure

General Information

  • Phase Label(s): Na2Ca[P2O7][H2O]4 mon1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): canaphite
  • Pearson Symbol: mP32
  • Space Group: 7
  • Phase Prototype: Na2Ca[P2O7][H2O]4
  • Measurement Detail(s): automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): diphosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, R = 0.057; wR = 0.042
  • Sample Detail(s): canaphite sample from U.S.A. New Jersey, Great Notch quarry, single crystal, 0.04×0.08×0.49 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ca[P2O7][H2O]4
  • Alphabetic Formula: Ca[H2O]4Na2[P2O7]
  • Published Formula: CaNa2H2(PO4)2·3H2O
  • Refined Formula: CaH8Na2O11P2
  • Wyckoff Sequence: 7,a16
  • Z Formula Units: 2
  • Density: ρ = 2.27 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

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_1616302

  • 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)

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