Inorganic Solid Phases

(Ca,Sr)3Al7.7Si3P4O23.5(OH)14.1·8H2O (HCa3Al7.7Si3[PO4]4O8.5[OH]13.1[H2O]8) Crystal Structure

General Information

  • Phase Label(s): HCa3Al7.7Si3[PO4]4O8.5[OH]13.1[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): perhamite
  • Pearson Symbol: hP80
  • Space Group: 164
  • Phase Prototype: HCa3Al6(Al0.85Si0.15)Si2.7[PO4]4O8.5[OH]13.1[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 132 variables; 933 reflections; F > 4σ(F), R = 0.041; wR = 0.162
  • Sample Detail(s): perhamite sample from U.S.A. Maine, Greenwood, Emmons mine, electron microprobe analysis; 29.33 wt.% Al2O3, 24.2 wt.% H2O, 21.34 wt.% P2O5, 13.47 wt.% SiO2, 11.66 wt.% CaO, single crystal (determination of cell parameters), single crystal, 0.035×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HCa3Al7.7Si3[PO4]4O8.5[OH]13.1[H2O]8
  • Alphabetic Formula: Al7.7Ca3H[H2O]8O8.5[OH]13.1[PO4]4Si3
  • Published Formula: (Ca,Sr)3Al7.7Si3P4O23.5(OH)14.1·8H2O
  • Refined Formula: Al7.70Ca3H29O45.12P4Si3.14
  • Wyckoff Sequence: 150,g12d5c3b
  • Z Formula Units: 1
  • Density: ρ = 2.49 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1815625

  • 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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