Inorganic Solid Phases

Mg12(Mg,Fe,☐)2(PO4,PO3OH,AsO4)6(PO3OH,CO3)2(OH)6 (H0.6Mg7[PO4]3.6[CO3]0.4[OH]3) Crystal Structure

General Information

  • Phase Label(s): H0.6Mg7[PO4]3.6[CO3]0.4[OH]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): phosphoellenbergerite
  • Pearson Symbol: hP70
  • Space Group: 186
  • Phase Prototype: H0.6Mg7[PO4]3.6[CO3]0.4[OH]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 65 variables; 1009 reflections; I > 3σ(I), R = 0.027; wR = 0.028
  • Sample Detail(s): phosphoellenbergerite sample from Norway, Modum, electron microprobe analysis; Mg12[Mg1.32Fe0.17Ca0.11]([PO4]4.34[PO3OH]0.79[AsO4]0.58[SO4]0.15[SiO4]0.14)([PO3OH]1.24[CO3]0.76][OH]6), single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.6Mg7[PO4]3.6[CO3]0.4[OH]3
  • Alphabetic Formula: [CO3]0.4H0.6Mg7[OH]3[PO4]3.6
  • Published Formula: Mg12(Mg,Fe,☐)2(PO4,PO3OH,AsO4)6(PO3OH,CO3)2(OH)6
  • Refined Formula: C0.38H3.62Mg6.68O18.62P3.62
  • Wyckoff Sequence: 186,d2c6b3a2
  • Z Formula Units: 2
  • Density: ρ = 2.87 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1004467

  • 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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