Crystal Chemistry of Johillerite

Koshlyakova, Natalia N.; Zubkova, Natalia V.; Pekov, Igor V.; Giester, Gerald; Sidorov, Evgeny G.

doi:10.3749/canmin.1700075

Cited by 6 publications

(4 citation statements)

References 26 publications

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“…where x = 0-1. The derivative of the alluaudite-type framework containing occupied A(1) sites is described by the formula (10) and can be denoted as the johillerite-type (by the analogy with the mineral johillerite, NaCuMgMg 2 (AsO 4 ) 3 [63,64]), while the derivative with the occupied A(2) sites and the formula ( 11) is denoted as the KCd 3 (VO 4 ) 3 -type [52,65]. Taking into account that both derivatives also contain bridging p II -type X-ligands that can be partially protonated, Formulas ( 10) and ( 11) can be modified as:…”

Section: The Influence Of the Hetero-polyhedral Substitutions At Extraframework A-sites On The Stoichiometry Of The Alluaudite-type Framementioning

confidence: 99%

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

et al. 2021

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A new sodium manganese-nickel phosphate of alluaudite supergroup with the general formula NaMnNi2(H2/3PO4)3 was synthesized by a hydrothermal method. The synthesis was carried out in the temperature range from 540 to 660 K and at the general pressure of 80 atm from the oxides mixture in the molar ratio MnCl2: 2NiCl2: 2Na3PO4: H3BO3: 10H2O. The crystal structure was studied by a single-crystal X-ray diffraction analysis: space group C2/c (No. 15), a = 16.8913(4), b = 5.6406(1), c = 8.3591(3) Å, β = 93.919(3), V = 794.57(4) Å3. The compound belongs to the alluaudite structure type based upon a mixed hetero-polyhedral framework formed by MX6-octahedra and TX4-tetrahedra. The characteristic feature of the title compound is the absence of cations or H2O molecules in channel II, while the negative charge of the framework is balanced by the partial protonation of PO4 tetrahedra. The presence of the transition metals at the A-type sites results in the changes of stoichiometry and the local topological features. Topological analysis of the hetero-polyhedral alluaudite-type frameworks and its derivatives (johillerite-, KCd4(VO4)3-, and keyite-type) and quantitative characterization of their differences was performed by means of natural tilings.

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Section: The Influence Of the Hetero-polyhedral Substitutions At Extraframework A-sites On The Stoichiometry Of The Alluaudite-type Framementioning

confidence: 99%

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

et al. 2021

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“…Only one of them can have more than 50% occupancy due to a short cation–cation distance: <2 Å. The A (1)’-centred polyhedron is the smallest and has flat-square oxygen coordination and only the cation, Cu 2+ , is known to be located there in arsenate minerals of the group, with A (1)’–O distances lying in the range from 1.82 to 1.99 Å (Keller and Hess, 1988; Auernhammer et al , 1993; Krivovichev et al , 2001; Tait and Hawthorne, 2004; Malcherek and Schlüter, 2013; Schlüter et al , 2013; Koshlyakova et al , 2018; Pekov et al , 2020c). This is in a good agreement with the ionic radius of Cu 2+ and with a strong tendency of Cu 2+ -centred polyhedra for the Jahn–Teller distortion.…”

Section: Discussionmentioning

confidence: 99%

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XV. Calciojohillerite, NaCaMgMg₂(AsO₄)₃, a member of the alluaudite group

Pekov

Koshlyakova

Agakhanov

et al. 2021

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The new alluaudite-group mineral calciojohillerite is one of the major arsenates in sublimates of the Arsenatnaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. In middle zones of the fumarole, calciojohillerite is associated with hematite, tenorite, johillerite, nickenichite, bradaczekite, badalovite, tilasite, lammerite, ericlaxmanite, aphthitalite-group sulfates, langbeinite, calciolangbeinite, anhydrite, sanidine, fluorophlogopite, fluoborite, cassiterite, pseudobrookite, rutile, sylvite and halite. In deep zones it occurs in association with anhydrite, diopside, hematite, svabite, berzeliite, schäferite, forsterite, magnesioferrite, ludwigite, rhabdoborite-group fluoroborates, powellite, baryte, fluorapatite, udinaite, arsenudinaite and paraberzeliite. Calciojohillerite forms prismatic crystals up to 1 cm long, their aggregates and crystal crusts up to 0.5 m2. It is transparent, colourless, pale green, pale yellow, light blue, pale lilac or pink, with vitreous lustre. The mineral is brittle, with imperfect cleavage. The Mohs hardness is 3½. Dcalc is 3.915 g cm–3. Calciojohillerite is optically biaxial (–), α = 1.719(3), β = γ = 1.732(3); 2Vmeas. = 15(10)°. Chemical composition (wt.%, electron-microprobe; holotype) is: Na2O 7.32, K2O 0.10, CaO 6.82, MgO 20.31, MnO 0.68, CuO 0.27, ZnO 0.02, Al2O3 0.56, Fe2O3 3.53, TiO2 0.01, SiO2 0.03, P2O5 1.25, V2O5 0.10, As2O5 58.77, SO3 0.13, total 99.90. The empirical formula based on 12 O atoms is (Na1.30K0.01Ca0.67Mg2.78Mn0.05Cu0.02Al0.06Fe3+0.24)Σ5.13(As2.83P0.10S0.01V0.01)Σ2.95O12. Calciojohillerite is monoclinic, C2/c, a = 11.8405(3), b = 12.7836(2), c = 6.69165(16) Å, β = 112.425(3)°, V = 936.29(4) Å3 and Z = 4. The crystal structure was solved from single-crystal X-ray diffraction data, R1 = 0.0227. Calciojohillerite is isostructural with other alluaudite-group minerals. Its simplified crystal chemical formula is A (1)Ca A (1)′□ A (2)□ A (2)′Na M (1)Mg M (2)Mg2(AsO4)3 (□ = vacancy). The idealised formula is NaCaMg3(AsO4)3, or, according to the nomenclature of alluaudite-group arsenates, NaCaMgMg2(AsO4)3. Calciojohillerite is named as an analogue of johillerite NaCu2+MgMg2(AsO4)3 with species-defining Ca instead of Cu in the ideal formula.

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“…The A(2)’ site centres eight-fold oxygen polyhedron with A(2)’–O distances in the range from 2.437(2) to 3.005(3) Å (Table 5). A minor admixture of Cu (0.01 apfu) found by electron microprobe could be located in M (2) or in the A (1)’ site that typical for Cu 2+ cations in alluaudite-type arsenates (Krivovichev et al ., 2013; Koshlyakova et al ., 2018; Hatert, 2019): a small peak with x = 0.0, y = 0.5072 and z = 0.25 on the residual Fourier synthesis (1.02 e – /Å 3 ) revealed during the refinement of the badalovite structure corresponds to the A (1)’ site.…”

Section: Discussionmentioning

confidence: 99%

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XIV. Badalovite, NaNaMg(MgFe³⁺)(AsO₄)₃, a member of the alluaudite group

Pekov

Koshlyakova

Agakhanov

et al. 2020

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Abstract The new alluaudite-group mineral badalovite was found in the Arsenatnaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. It is associated with hematite, tenorite, cassiterite, johillerite, nickenichite, calciojohillerite, bradaczekite, metathénardite, aphthitalite, langbeinite, calciolangbeinite, sanidine, fluorophlogopite, fluoborite, tilasite, anhydrite, pseudobrookite, sylvite, halite, lammerite, urusovite, ericlaxmanite, arsmirandite, svabite, krasheninnikovite, euchlorine, wulffite and alumoklyuchevskite. Badalovite forms oblique-angled prismatic crystals up to 1 mm × 1 mm × 5 mm, typically combined in groups or crusts up to several hundred cm2 in area. The mineral is transparent, green, grey, yellow or colourless, with vitreous lustre. It is brittle, the Mohs hardness is 3½. Cleavage was not observed, the fracture is uneven. Dcalc is 4.02 g cm–3. Badalovite is optically biaxial (–), α = 1.753(3), β = 1.757(3), γ = 1.758(3) and 2Vmeas. = 50(10)°. Chemical composition (wt.%, electron-microprobe; holotype) is: Na2O 9.23, K2O 0.19, CaO 2.04, MgO 13.78, MnO 0.31, CuO 0.12, ZnO 0.24, Al2O3 0.06, Fe2O3 12.77, TiO2 0.01, SiO2 0.06, P2O5 0.33, V2O5 0.05, As2O5 61.51, SO3 0.02, total 100.72. The empirical formula based on 12 O apfu is Na1.67Ca0.20K0.02Mg1.92Zn0.02Mn0.02Cu0.01Fe3+0.90Al0.01(As3.01P0.03Si0.01)Σ3.05O12. The simplified formula is Na2Mg2Fe3+(AsO4)3. Badalovite is monoclinic, C2/c, a = 11.9034(3), b = 12.7832(2), c = 6.66340(16) Å, β = 112.523(3)°, V = 936.59(4) Å3 and Z = 4. The strongest reflections of the powder XRD pattern [d,Å(I)(hkl)] are: 6.41(38)(020), 5.505(20)(200), 3.577(23)( $\bar{1}$ 31), 3.523(25)(310), 3.211(46)( $\bar{1}$ 12), 2.911(28)( $\bar{2}$ 22, $\bar{3}$ 12), 2.765(100)(240, 400) and 2.618(26)( $\bar{1}$ 32). The crystal structure was solved from single-crystal XRD data with an R1 of = 2.49%. Badalovite is isostructural with other alluaudite-group minerals. Its simplified crystal chemical formula is A (1)Na A (1)’□ A (2) □ A (2)’Na M (1)Mg M (2)(Mg0.5Fe3+0.5)2(AsO4)3 (□ – vacancy) and the end-member formula is NaNaMg(MgFe3+)(AsO4)3. The mineral is named in honour of the outstanding mineralogist and geochemist Stepan Tigranovich Badalov (1919–2014).

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Crystal Chemistry of Johillerite

Cited by 6 publications

References 26 publications

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XV. Calciojohillerite, NaCaMgMg₂(AsO₄)₃, a member of the alluaudite group

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XIV. Badalovite, NaNaMg(MgFe³⁺)(AsO₄)₃, a member of the alluaudite group

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Crystal Chemistry of Johillerite

Cited by 6 publications

References 26 publications

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XV. Calciojohillerite, NaCaMgMg2(AsO4)3, a member of the alluaudite group

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XIV. Badalovite, NaNaMg(MgFe3+)(AsO4)3, a member of the alluaudite group

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New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XV. Calciojohillerite, NaCaMgMg₂(AsO₄)₃, a member of the alluaudite group

New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XIV. Badalovite, NaNaMg(MgFe³⁺)(AsO₄)₃, a member of the alluaudite group