The crystal structure of segelerite, Ca2Mg2Al0.6(PO4)4(OH)2(H2O)8, from the Mount Deverell variscite deposit, Western Australia, has been refined using single-crystal X-ray data to wRobs = 0.048 for 2082 unique reflections and all H atoms were located during the refinement. Cell parameters are a = 14.7772(2) Å, b = 18.7079(2) Å, c = 7.2424(1) Å, space group Pbca. The H-bonding scheme is described and compared to that for the combinatorial polymorph, jahnsite. The crystal structures of both minerals comprise heteropolyhedral slabs of composition [XM1(OH)2(PO4)4], that are linked together via corner-sharing of PO4 tetrahedra with isolated [M2(Op)2(H2O)4] octahedra. The structures differ in the mode of linkage of the M2 octahedra, which is via trans Op ligands in segelerite and via both trans and cis Op ligands in jahnsite. In segelerite, X = M1 = Ca, whereas in jahnsite-group minerals, X = Ca, Na, Mn2+ and M1 = Mn2+, Mg2+, Fe2+, Fe3+. X and M1 alternate along the 7 Å axis and it is proposed that different magnitudes of rotation of the Fe3+ octahedra about the 7 Å axis to accommodate the different coordination requirements of the X and M1 cations drives the symmetry changes in the two minerals so that a strong H-bonding network is maintained.
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Research Article|
May 01, 2019
Segelerite from the Mount Deverell variscite deposit, Western Australia. Hydrogen bonding and relationship to jahnsite
Ian E. Grey;
1
CSIRO Mineral Resources
, Private Bag 10, Clayton South, Victoria3169, Australia
Corresponding author, e-mail: [email protected]
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W. Gus Mumme;
W. Gus Mumme
1
CSIRO Mineral Resources
, Private Bag 10, Clayton South, Victoria3169, Australia
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Peter J. Downes;
Peter J. Downes
2
Earth and Planetary Sciences, Western Australian Museum
, Locked Bag 49, Welshpool DC, Western Australia6986, Australia
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Benjamin A. Grguric;
Benjamin A. Grguric
3
Centre for Exploration Targeting, University of Western Australia
, 35 Stirling Highway, Crawley, Western Australia6009, Australia
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Robert W. Gable
Robert W. Gable
4
School of Chemistry, University of Melbourne
, Parkville, Victoria3010, Australia
Search for other works by this author on:
W. Gus Mumme
1
CSIRO Mineral Resources
, Private Bag 10, Clayton South, Victoria3169, Australia
Peter J. Downes
2
Earth and Planetary Sciences, Western Australian Museum
, Locked Bag 49, Welshpool DC, Western Australia6986, Australia
Benjamin A. Grguric
3
Centre for Exploration Targeting, University of Western Australia
, 35 Stirling Highway, Crawley, Western Australia6009, Australia
Robert W. Gable
4
School of Chemistry, University of Melbourne
, Parkville, Victoria3010, Australia
Corresponding author, e-mail: [email protected]
Publisher: Deutsche Mineralogische Gesellschaft, Sociedad Española de Mineralogia, Societá Italiana di Mineralogia e Petrologia, Société Francaise de Minéralogie
Received:
14 Nov 2018
Revision Received:
06 Dec 2018
Accepted:
18 Dec 2018
First Online:
10 Jan 2019
Online ISSN: 1617-4011
Print ISSN: 0935-1221
© 2019 E. Schweizerbart’sche Verlagsbuchhandlung, 70176 Stuttgart, Germany
European Journal of Mineralogy (2019) 31 (3): 465–471.
Article history
Received:
14 Nov 2018
Revision Received:
06 Dec 2018
Accepted:
18 Dec 2018
First Online:
10 Jan 2019
Citation
Ian E. Grey, W. Gus Mumme, Peter J. Downes, Benjamin A. Grguric, Robert W. Gable; Segelerite from the Mount Deverell variscite deposit, Western Australia. Hydrogen bonding and relationship to jahnsite. European Journal of Mineralogy 2019;; 31 (3): 465–471. doi: https://doi.org/10.1127/ejm/2019/0031-2829
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Index Terms/Descriptors
- Australasia
- Australia
- cell dimensions
- coordination
- crystal structure
- electron probe data
- ferric iron
- formula
- iron
- ligands
- metals
- octahedra
- phosphates
- polyhedra
- polymorphism
- refinement
- space groups
- tetrahedra
- variscite
- Western Australia
- X-ray diffraction data
- jahnsite
- hydrogen bonding
- segelerite
- Mount Deverell
Latitude & Longitude
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