Inorganic Solid Phases

Ca2(Zn0.62Mg0.38)[PO4]2·2H2O (Ca2Mg0.38Zn0.62[PO4]2[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Ca2Mg0.38Zn0.62[PO4]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hillite
  • Pearson Symbol: aP15
  • Space Group: 2
  • Phase Prototype: Ca2Mg[PO4]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 79 variables; 993 reflections; I > 2σ(I), R = 0.0378
  • Sample Detail(s): hillite sample from Australia, Reaphook Hill, Lower Cambrian Formation, electron microprobe analysis; Na0.01Ca1.91Mg0.38Zn0.64P2.03[H2O]2.00, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Mg0.38Zn0.62[PO4]2[H2O]2
  • Alphabetic Formula: Ca2[H2O]2Mg0.38[PO4]2Zn0.62
  • Published Formula: Ca2(Zn0.62Mg0.38)[PO4]2·2H2O
  • Refined Formula: Ca2H4Mg0.38O10P2Zn0.62
  • Wyckoff Sequence: 2,i7d
  • Z Formula Units: 1
  • Density: ρ = 3.18 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
U [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220536

  • 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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