Collected Item: “Water in the Alluaudite Type-Compounds: Synthesis, Crystal Structure and Magnetic Properties of Co3(AsO4)0.5+x(HAsO4)2−x(H2AsO4)0.5+x[(H,□)0.5(H2O,H3O)0.5]2x+”
Врста публикације
Рад у часопису
Верзија рада
објављена верзија
Језик рада
енглески
Аутор/и (Милан Марковић, Никола Николић)
Tamara Đorđević, Ljiljana Karanović, Marko Jagodič, Zvonko Jagličić
Наслов рада (Наслов - поднаслов)
Water in the Alluaudite Type-Compounds: Synthesis, Crystal Structure and Magnetic Properties of Co3(AsO4)0.5+x(HAsO4)2−x(H2AsO4)0.5+x[(H,□)0.5(H2O,H3O)0.5]2x+
Наслов часописа
Minerals
Издавач (Београд : Просвета)
MDPI AG
Година издавања
2021
Сажетак на енглеском језику
Abstract: In this study, a new cobalt arsenate belonging to the alluaudite supergroup compounds with
the general formula of Co3(AsO4)0.5+x(HAsO4)2−x(H2AsO4)0.5+x[(H,)0.5(H2O,H3O)0.5]2x+ (denoted
as CoAsAllu) was synthesized under hydrothermal conditions. Its crystal structure was determined
by a room-temperature single-crystal X-ray diffraction analysis: space group C2/c, a = 11.6978(8),
b = 12.5713(7), c = 6.7705(5) Å, b = 113.255(5)◦, V = 914.76(11) Å3, Z = 2 for As6H8Co6O25. It represents
a new member of alluaudite-like protonated arsenates and the first alluaudite-like phase showing
both protonation of the tetrahedral site and presence of the H2O molecules in the channels. In the
asymmetric unit of CoAsAllu, one of the two Co, one of the two As and one of the seven O atoms lie
at 4e special positions (site symmetry 2). The crystal structure consists of the infinite edge-shared
CoO6 octahedra chains, running parallel to the [101] direction. The curved chains are interconnected
by [(As1O4)0.5(H2As1O4)0.5]2− and [HAs2O4]2− tetrahedra forming a heteropolyhedral 3D open
framework with two types of parallel channels. Both channels run along the c-axis and are located
at the positions (1/2, 0, z) and (0, 0, z), respectively. The H2 and H4 hydrogen atoms of O2H2 and
O4H4 hydroxyl groups are situated in channel 1, while the uncoordinated water molecule H2O7
at half-occupied 4e special positions and hydrogen atoms of O6H6 hydroxyl group were found in
channel 2. The results of the magnetic investigations confirm the quasi one-dimensional structure
of divalent cobalt ions. They are antiferromagnetically coupled with the intrachain interaction
parameter of J ≈ −8 cm−1 and interchain parameter of J’ ≈ −2 cm−1 that become effective below the
Néel temperature of 3.4 K.
the general formula of Co3(AsO4)0.5+x(HAsO4)2−x(H2AsO4)0.5+x[(H,)0.5(H2O,H3O)0.5]2x+ (denoted
as CoAsAllu) was synthesized under hydrothermal conditions. Its crystal structure was determined
by a room-temperature single-crystal X-ray diffraction analysis: space group C2/c, a = 11.6978(8),
b = 12.5713(7), c = 6.7705(5) Å, b = 113.255(5)◦, V = 914.76(11) Å3, Z = 2 for As6H8Co6O25. It represents
a new member of alluaudite-like protonated arsenates and the first alluaudite-like phase showing
both protonation of the tetrahedral site and presence of the H2O molecules in the channels. In the
asymmetric unit of CoAsAllu, one of the two Co, one of the two As and one of the seven O atoms lie
at 4e special positions (site symmetry 2). The crystal structure consists of the infinite edge-shared
CoO6 octahedra chains, running parallel to the [101] direction. The curved chains are interconnected
by [(As1O4)0.5(H2As1O4)0.5]2− and [HAs2O4]2− tetrahedra forming a heteropolyhedral 3D open
framework with two types of parallel channels. Both channels run along the c-axis and are located
at the positions (1/2, 0, z) and (0, 0, z), respectively. The H2 and H4 hydrogen atoms of O2H2 and
O4H4 hydroxyl groups are situated in channel 1, while the uncoordinated water molecule H2O7
at half-occupied 4e special positions and hydrogen atoms of O6H6 hydroxyl group were found in
channel 2. The results of the magnetic investigations confirm the quasi one-dimensional structure
of divalent cobalt ions. They are antiferromagnetically coupled with the intrachain interaction
parameter of J ≈ −8 cm−1 and interchain parameter of J’ ≈ −2 cm−1 that become effective below the
Néel temperature of 3.4 K.
Волумен/том или годиште часописа
11
Број часописа
12
Укупан број страна рада (уколико не постоји пагинација)
14
DOI број
10.3390/min11121372
ISSN број часописа
2075-163X
Кључне речи на српском (одвојене знаком ", ")
супергрупа алуаудита; арсенати прелазних метала; хидротермална синтеза; кристална структура; хидратисани хидрокси-арсенати; стехиометрија; магнетна својства
Кључне речи на енглеском (одвојене знаком ", ")
alluaudite supergroup; transition metal arsenates; hydrothermal synthesis; crystal structure; hydrated hydroxy-arsenates; stoichiometry; magnetic properties
Линк
https://www.mdpi.com/2075-163X/11/12/1372/pdf
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Creative Commons – Attribution 4.0 International
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