Inorganic Solid Phases

[(Ca8.41Sr1.61)(As5+2.95P2.90)O24(F0.69OH1.31) (Sr0.8Ca4.2[AsO4]1.5[PO4]1.5[OH]0.655F0.345) Crystal Structure

General Information

  • Phase Label(s): Sr0.8Ca4.2[AsO4]1.5[PO4]1.5[OH]0.655F0.345
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): johnbaumite M
  • Pearson Symbol: mP46
  • Space Group: 11
  • Phase Prototype: (Sr0.16Ca0.84)5[(As0.5P0.5)O4]3([OH]0.66F0.34)
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 124 variables; 1373 reflections; I > 3σ(I), R = 0.027; wR = 0.030
  • Sample Detail(s): fermorite sample from India, Madhya Pradesh State, Chindwara, Sitipar deposit, chemical analysis, electron microprobe analysis; (Ca8.41Sr1.61)(As5+2.95P2.90)O24[F0.69OH1.31], single crystal (determination of cell parameters), single crystal, 0.10×0.12×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.8Ca4.2[AsO4]1.5[PO4]1.5[OH]0.655F0.345
  • Alphabetic Formula: [AsO4]1.5Ca4.2F0.345[OH]0.655[PO4]1.5Sr0.8
  • Published Formula: [(Ca8.41Sr1.61)(As5+2.95P2.90)O24(F0.69OH1.31)
  • Refined Formula: As1.29Ca4.20F0.34O13.31P1.71Sr0.80
  • Wyckoff Sequence: 11,f5e13
  • Z Formula Units: 2
  • Density: ρ = 3.62 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_1624201

  • 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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