The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures
The crystal structure of sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O (orthorhombic, Pnma , a = 10.6286(4), b = 18.3700(6), c = 5.02060(15) Å, V = 980.26(6) Å 3 , Z = 4), a new member of the hopeite group of minerals, was determined and refined to R 1 = 0.030 using crystals from the Këster mineral dep...
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ftdoajarticles:oai:doaj.org/article:8c357e3b31524496a9cd2d8d85d50569 2023-05-15T18:45:06+02:00 The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures Sergey V. Krivovichev Taras L. Panikorovskii Victor N. Yakovenchuk 2022-08-01T00:00:00Z https://doi.org/10.3390/cryst12081120 https://doaj.org/article/8c357e3b31524496a9cd2d8d85d50569 EN eng MDPI AG https://www.mdpi.com/2073-4352/12/8/1120 https://doaj.org/toc/2073-4352 doi:10.3390/cryst12081120 2073-4352 https://doaj.org/article/8c357e3b31524496a9cd2d8d85d50569 Crystals, Vol 12, Iss 1120, p 1120 (2022) sergeysmirnovite hopeite group crystal structure polymorphism structural complexity mineralogical crystallography Crystallography QD901-999 article 2022 ftdoajarticles https://doi.org/10.3390/cryst12081120 2022-12-30T23:41:49Z The crystal structure of sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O (orthorhombic, Pnma , a = 10.6286(4), b = 18.3700(6), c = 5.02060(15) Å, V = 980.26(6) Å 3 , Z = 4), a new member of the hopeite group of minerals, was determined and refined to R 1 = 0.030 using crystals from the Këster mineral deposit in Sakha-Yakutia, Russia. Similar to other members of the hopeite group, the crystal structure of sergeysmirnovite is based upon [Zn(PO 4 )] – layers interlinked via interstitial [ M O 2 (H 2 O) 4 ] 2– octahedra, where M = Mg 2+ . The layers are parallel to the (010) plane. Within the layer, the ZnO 4 tetrahedra share common corners to form chains running along [001]. Sergeysmirnovite is a dimorph of reaphookhillite, a mineral from the Reaphook Hill zinc deposit in South Australia. The relations between sergeysmirnovite and reaphookhillite are the same as those between hopeite and parahopeite. Topological and structural complexity analysis using information theory shows that the hopeite (sergeysmirnovite) structure type is more complex, both structurally and topologically, than the parahopeite (reaphookhillite) structure type. Such complexity relations contradict the general observation that more complex polymorphs possess higher physical density and higher stability, since parahopeite is denser than hopeite. It could be hypothesized that hopeite is metastable under ambient conditions and separated from parahopeite by a structural and topological reconstruction that requires an essential energy barrier that is difficult to overcome. Article in Journal/Newspaper Yakutia Directory of Open Access Journals: DOAJ Articles Sakha Këster ENVELOPE(134.263,134.263,67.250,67.250) Crystals 12 8 1120 |
institution |
Open Polar |
collection |
Directory of Open Access Journals: DOAJ Articles |
op_collection_id |
ftdoajarticles |
language |
English |
topic |
sergeysmirnovite hopeite group crystal structure polymorphism structural complexity mineralogical crystallography Crystallography QD901-999 |
spellingShingle |
sergeysmirnovite hopeite group crystal structure polymorphism structural complexity mineralogical crystallography Crystallography QD901-999 Sergey V. Krivovichev Taras L. Panikorovskii Victor N. Yakovenchuk The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
topic_facet |
sergeysmirnovite hopeite group crystal structure polymorphism structural complexity mineralogical crystallography Crystallography QD901-999 |
description |
The crystal structure of sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O (orthorhombic, Pnma , a = 10.6286(4), b = 18.3700(6), c = 5.02060(15) Å, V = 980.26(6) Å 3 , Z = 4), a new member of the hopeite group of minerals, was determined and refined to R 1 = 0.030 using crystals from the Këster mineral deposit in Sakha-Yakutia, Russia. Similar to other members of the hopeite group, the crystal structure of sergeysmirnovite is based upon [Zn(PO 4 )] – layers interlinked via interstitial [ M O 2 (H 2 O) 4 ] 2– octahedra, where M = Mg 2+ . The layers are parallel to the (010) plane. Within the layer, the ZnO 4 tetrahedra share common corners to form chains running along [001]. Sergeysmirnovite is a dimorph of reaphookhillite, a mineral from the Reaphook Hill zinc deposit in South Australia. The relations between sergeysmirnovite and reaphookhillite are the same as those between hopeite and parahopeite. Topological and structural complexity analysis using information theory shows that the hopeite (sergeysmirnovite) structure type is more complex, both structurally and topologically, than the parahopeite (reaphookhillite) structure type. Such complexity relations contradict the general observation that more complex polymorphs possess higher physical density and higher stability, since parahopeite is denser than hopeite. It could be hypothesized that hopeite is metastable under ambient conditions and separated from parahopeite by a structural and topological reconstruction that requires an essential energy barrier that is difficult to overcome. |
format |
Article in Journal/Newspaper |
author |
Sergey V. Krivovichev Taras L. Panikorovskii Victor N. Yakovenchuk |
author_facet |
Sergey V. Krivovichev Taras L. Panikorovskii Victor N. Yakovenchuk |
author_sort |
Sergey V. Krivovichev |
title |
The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
title_short |
The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
title_full |
The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
title_fullStr |
The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
title_full_unstemmed |
The Crystal Structure of Sergeysmirnovite, MgZn 2 (PO 4 ) 2 ·4H 2 O, and Complexity of the Hopeite Group and Related Structures |
title_sort |
crystal structure of sergeysmirnovite, mgzn 2 (po 4 ) 2 ·4h 2 o, and complexity of the hopeite group and related structures |
publisher |
MDPI AG |
publishDate |
2022 |
url |
https://doi.org/10.3390/cryst12081120 https://doaj.org/article/8c357e3b31524496a9cd2d8d85d50569 |
long_lat |
ENVELOPE(134.263,134.263,67.250,67.250) |
geographic |
Sakha Këster |
geographic_facet |
Sakha Këster |
genre |
Yakutia |
genre_facet |
Yakutia |
op_source |
Crystals, Vol 12, Iss 1120, p 1120 (2022) |
op_relation |
https://www.mdpi.com/2073-4352/12/8/1120 https://doaj.org/toc/2073-4352 doi:10.3390/cryst12081120 2073-4352 https://doaj.org/article/8c357e3b31524496a9cd2d8d85d50569 |
op_doi |
https://doi.org/10.3390/cryst12081120 |
container_title |
Crystals |
container_volume |
12 |
container_issue |
8 |
container_start_page |
1120 |
_version_ |
1766236068482383872 |