Inorganic Solid Phases

[Ca0.59Sr0.17La0.08Ce0.07Pb0.07Ba0.02][Al2.61Fe0.02][(PO4)1.59(SO4)0.21(CO3)0.20][(OH)4.57(H2O)1.43] (Sr0.2Ca0.64La0.16Al2.68[PO4]1.6[CO3]0.2[SO4]0.2[OH]4.6[H2O]1.4) Crystal Structure

General Information

  • Phase Label(s): Sr0.2Ca0.64La0.16Al2.68[PO4]1.6[CO3]0.2[SO4]0.2[OH]4.6[H2O]1.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): crandallite
  • Pearson Symbol: hR99
  • Space Group: 166
  • Phase Prototype: Sr0.2Ca0.64La0.16Al2.68[PO4]1.6[CO3]0.2[SO4]0.2[OH]4.6[H2O]1.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (determination of structural parameters), X-rays, Co Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, orthophosphate, sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.107; RB = 0.027
  • Sample Detail(s): crandallite sample from Guatemala, El Paten, Maya city of Tikal, electron microprobe analysis; (Ca0.59Sr0.17La0.08Ce0.07Pb0.07Ba0.02)(Al2.61Fe0.02[PO4]1.59[SO4]0.21[CO3]0.20)([OH]4.57[H2O]1.43)[Corganic]0.94, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.2Ca0.64La0.16Al2.68[PO4]1.6[CO3]0.2[SO4]0.2[OH]4.6[H2O]1.4
  • Alphabetic Formula: Al2.68[CO3]0.2Ca0.64[H2O]1.4La0.16[OH]4.6[PO4]1.6[SO4]0.2Sr0.2
  • Published Formula: [Ca0.59Sr0.17La0.08Ce0.07Pb0.07Ba0.02][Al2.61Fe0.02][(PO4)1.59(SO4)0.21(CO3)0.20][(OH)4.57(H2O)1.43]
  • Refined Formula: Al2.80Ba0.02C0.20Ca0.59Ce0.07Fe0.03H7.38La0.08O14.36P1.48Pb0.07S0.20Sr0.17
  • Wyckoff Sequence: 166,h3gec3
  • Z Formula Units: 3
  • Density: ρ = 3.06 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_1226484

  • 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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