Inorganic Solid Phases

(Ca5.1Na0.5)(Fe3+AlFe2+1.7Mg0.3)(Al5.1Mg0.7)[Si12O36(OH)12H]·[(CO3)1.2(H2O)12] (HNa0.5Ca5.1MgFe2.7Al6.1Si12[CO3]1.2O36[OH]12[H2O]12) Crystal Structure

General Information

  • Phase Label(s): HNa0.5Ca5.1MgFe2.7Al6.1Si12[CO3]1.2O36[OH]12[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): aerinite
  • Pearson Symbol: hP96
  • Space Group: 158
  • Phase Prototype: HNa0.5Ca5.1MgFe2.7Al6.1Si12[CO3]1.2O36[OH]12[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, synchrotron; λ = 0.09611 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, RP = 0.0693; wRP = 0.0937; RB = 0.0246
  • Sample Detail(s): aerinite sample from Spain, Huesca, Estopanya area, Camporrells, spectroscopy; 36.78 wt.% SiO2, 16.95 wt.% H2O, 15.81 wt.% Al2O3, 14.50 wt.% CaO, 6.32 wt.% FeO, 4.12 wt.% Fe2O3, 2.65 wt.% CO2, 2.02 wt.% MgO, 0.74 wt.% Na2O, 0.05 wt.% K2O, 0.03 wt.% P2O5, 0.02 wt.% TiO2, 0.01 wt.% MnO; trace amounts of CaCO3 and CaAl2Si3O10[H2O]3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HNa0.5Ca5.1MgFe2.7Al6.1Si12[CO3]1.2O36[OH]12[H2O]12
  • Alphabetic Formula: Al6.1[CO3]1.2Ca5.1Fe2.7H[H2O]12MgNa0.5O36[OH]12Si12
  • Published Formula: (Ca5.1Na0.5)(Fe3+AlFe2+1.7Mg0.3)(Al5.1Mg0.7)[Si12O36(OH)12H]·[(CO3)1.2(H2O)12]
  • Refined Formula: Al6C1.18Ca5.04Fe2.45H36Mg0.97Na0.48O63.54Si12
  • Wyckoff Sequence: 158,d15cba
  • Z Formula Units: 1
  • Density: ρ = 2.53 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1121087

  • 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)

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