Refinement of the mangan-neptunite crystal structure

The crystal structure of mangan-neptunite, a manganese analogue of neptunite, has been refined in two space groups (Cc and C2/c). The mineral is monoclinic, with the correct space group Cc; the unit-cell dimensions are: a = 16.4821(6), b = 12.5195(4), c = 10.0292(3) Å, β = 115.474(1)°, and V = 1868.31 ų. The crystal structure has been refined to R ₁ = 0.0307 (wR ₂ = 0.0901) on the basis of 4892 observed reflections with |F _hkl | ≥ 4σ|F _hkl |. The most plausible acentric model is caused by the Ti- and (Fe, Mn, Mg)-ordering in the structure. Ti-octahedrons are strongly distorted and consist of short bond Ti-O (1.7 Å), one long bond (2.2 Å), and four equal bonds (2.0 Å). Fe-octahedrons are regularly shaped, with all Fe-O bonds being approximately identical.     

Nikmelnikovite,Ca 12 Fe 2+ Fe $$_{3}^{{3 + }}$$ Al 3 (SiO 4 ) 6 (OH) 20 : A New Mineral from the Kovdor Massif (Kola Peninsula,Russia)

Doklady Earth Sciences - Nikmelnikovite, Ca12Fe2+Fe$$_{3}^{{3 + }}$$Al3(SiO4)6(OH)20, a new mineral from the Kovdor massif (Kola Peninsula, Russia), is described. It is the first trigonal...     

The crystal structure of loparite: a new acentric variety

Mineralogy and Petrology - The crystal structure of a new structural variety of loparite (Na0.56Ce0.21La0.14Ca0.06Sr0.03Nd0.02Pr0.01)Σ=1.03(Ti0.83Nb0.15)Σ=0.98O3 from the Khibiny alkaline...     

Romanorlovite,a New Copper and Potassium Hydroxychloride from the Tolbachik Volcano,Kamchatka, Russia

A new mineral romanorlovite has been found in the upper, moderately hot zones of two fumaroles, Glavnaya Tenoritovaya (Major Tenorite) and Arsenatnaya (Arsenate), located at the second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. It is associated with avdoninite in both fumaroles, and in Glavnaya Tenoritovaya, it is also associated with belloite, sylvite, carnallite, mitscherlichite, sanguite, chlorothionite, eriochalcite, chrysothallite, and mellizinkalite. Romanorlovite occurs as prismatic, equant, or tabular tetragonal crystals up to 0.1 mm in size, crystal clusters up to 0.5 mm, and crusts up to 2 × 2 mm in area. The mineral is transparent with vitreous luster. Its color varies from yellow-brown to dark brown, and tiny crystals are honey- or golden-yellow. Cleavage is not observed. Romanorlovite is brittle. The Mohs hardness is ca ~3. The calculated density varies from 2.72 to 2.79 g/cm³ depending on the content of admixed Pb. The mineral is optically uniaxial (–), ω = 1.727(3), ε = 1.694(2). The Raman spectrum has been reported. The chemical composition of the holotype sample (wt %; electron microprobe data, contents of О and H calculated by stoichiometry) is as follows: 21.52 K, 0.89 Pb, 28.79 Cu, 0.02 Zn, 44.74 Cl, 4.85 O_calc, 0.41 H_calc, total 101.22. Its empirical formula calculated based on Cl₂₅ with (ОН)₄(Н2О)₂ is K_10.90Pb_0.09Cu_8.97Zn_0.01Cl₂₅(OH)₄ · 2H₂O. The simplified formula is K₁₁Cu₉Cl₂₅(OH)₄ · 2H₂O (Z = 4). Romanorlovite is tetragonal, space group[ I4/mmm. The unit cell parameters are (1) holotype: a = 17.5804(7), c = 15.9075(6) Å, V = 4916.5(3) ų; (2) the sample enriched in Pb on which the crystal structure was refined: a = 17.5538(19), c = 15.8620(17) Å, V= 4887.7(9) ų. The strongest reflections of the powder XRD pattern (d, Å–I[hkl]) are 12.48–56[110], 11.74–36[101], 8.80–100[200], 7.97–34[002], 6.71–40[112], 3.165–32[512], 2.933–80[215, 433], 2.607–38[514]. The mineral is named in honor of Roman Yu. Orlov (1929-2005), Russian mineralogist and physicist, who worked in the Department of Mineralogy, Moscow State University.     

Thermal expansion of new arsenate minerals,bradaczekite, NaCu<Subscript>4</Subscript>(AsO<Subscript>4</Subscript>)<Subscript>3</Subscript>, and urusovite,Cu(AsAlO<Subscript>5</Subscript>)

Thermal behavior of two new exhalation copper-bearing minerals, bradaczekite and urusovite, from the Great Tolbachik Fissure Eruption (1975–1976, Kamchatka Peninsula, Russia) has been studied by X-ray thermal analysis within the range 20–700°C in air. The following major values of the thermal expansion tensor have been calculated for urusovite: α₁₁ = 10, α₂₂ = α_b = 7, α₃₃ = 4, α_V = 21 × 10⁻⁶°C⁻¹, μ = c∧α₃₃ = 49° and bradaczekite: α_11aver = 23, α₂₂ = 8, α_33aver = 6 × 10⁻⁶°C⁻¹, μ(c∧α₃₃) = 73°. The sharp anisotropy of thermal deformations of these minerals, absences of phase transitions, and stability of the minerals in the selected temperature range corresponding to conditions of their formation and alteration during the posteruption period of the volcanic activity are established.     

Ivsite,Na<Subscript>3</Subscript>H(SO<Subscript>4</Subscript>)<Subscript>2</Subscript>, a new mineral from volcanic exhalations of fumaroles of the Fissure Tolbachik Eruption of the 50th Anniversary of the Institute of Volcanology and Seismology,Far East Branch,Russian Academy of Sciences

Fine-granular (<0.1 mm) flattened colorless transparent crystals of ivsite form white aggregates. The empirical formula (Na_2.793Cu_0.056)_2.849HS_2.016O₈ is close to the ideal Na₃H(SO₄)₂. The structure was refined up to R = 0.040. Ivsite has a monoclinic symmetry, P2₁/c, a = 8.655(1) Å, b = 9.652(1) Å, c = 9.147(1) Å, β = 108.76(1)°, V = 723.61(1) ų, Z = 4. Na atoms occur at six- and seven-fold sites (NaO₆ and NaO₇); S atoms, in isolated SO₄ tetrahedrons; these polyhedrons form a three-dimensional framework. The diagnostic lines of powder diffraction patterns (d[Å]–I–hkl) are 4.010–53–12-1, 3.949–87–012, 3.768–100–210, 3.610–21–20-2, 3.022–22–031, 2.891–42–22-2, 2.764–49–31-1, and 2.732–70–13-1.     

Avdoninite: New data,crystal structure and refined formula K<Subscript>2</Subscript>Cu<Subscript>5</Subscript>Cl<Subscript>8</Subscript>(OH)<Subscript>4</Subscript> · 2H<Subscript>2</Subscript>O

The paper reports new findings of avdoninite from deposits of active fumaroles in the Second Scoria Cone at the Northern Breach of the Great Fissure Tolbachik Eruption, Tolbachik Volcano, Kamchatka Peninsula, Russia. The crystal structure of the mineral has been determined for the first time, which has allowed reliable determination of its space group and unit cell dimensions, refinement of its formula K₂Cu₅-Cl₈(OH)₄ · 2H₂O, and correct indexing of its X-ray powder diffraction pattern. Avdoninite is monoclinic, space group P2₁/c, a = 11.592(2), b = 6.5509(11), c = 11.745(2) Å, β = 91.104(6)°, V = 891.8(3) ų, Z = 2. The crystal structure of this mineral has been determined on a single crystal R ₁ [F > 4σ (F)] = 0.063. It is based on sheets of copper–oxo-chloride complexes [Cu₅Cl₈(OH)₄]^2– parallel to (100). The K⁺ cation and H₂O molecules are interlayers.     

Nickelpicromerite,K<Subscript>2</Subscript>Ni(SO<Subscript>4</Subscript>)<Subscript>2</Subscript>•6H<Subscript>2</Subscript>O,a new picromerite-group mineral from Slyudorudnik,South Urals,Russia

A new picromerite-group mineral, nickelpicromerite, K₂Ni(SO₄)₂?·?6H₂O (IMA 2012–053), was found at the Vein #169 of the Ufaley quartz deposit, near the town of Slyudorudnik, Kyshtym District, Chelyabinsk area, South Urals, Russia. It is a supergene mineral that occurs, with gypsum and goethite, in the fractures of slightly weathered actinolite-talc schist containing partially vermiculitized biotite and partially altered sulfides: pyrrhotite, pentlandite, millerite, pyrite and marcasite. Nickelpicromerite forms equant to short prismatic or tabular crystals up to 0.07 mm in size and anhedral grains up to 0.5 mm across, their clusters or crusts up to 1 mm. Nickelpicromerite is light greenish blue. Lustre is vitreous. Mohs hardness is 2–2½. Cleavage is distinct, parallel to {10–2}. D _meas is 2.20(2), D _calc is 2.22 g cm^?3. Nickelpicromerite is optically biaxial (+), α?=?1.486(2), β?=?1.489(2), γ?=?1.494(2), 2V_meas =75(10)°, 2V_calc =76°. The chemical composition (wt.%, electron-microprobe data) is: K₂O 20.93, MgO 0.38, FeO 0.07, NiO 16.76, SO₃ 37.20, H₂O (calc.) 24.66, total 100.00. The empirical formula, calculated based on 14 O, is: K_1.93Mg_0.04Ni_0.98S_2.02O_8.05(H₂O)_5.95. Nickelpicromerite is monoclinic, P2₁/c, a?=?6.1310(7), b?=?12.1863(14), c?=?9.0076(10) Å, β?=?105.045(2)°, V?=?649.9(1) ų, Z?=?2. Eight strongest reflections of the powder XRD pattern are [d,Å-I(hkl)]: 5.386–34(110); 4.312–46(002); 4.240–33(120); 4.085–100(012, 10–2); 3.685–85(031), 3.041–45(040, 112), 2.808–31(013, 20–2, 122), 2.368–34(13–3, 21–3, 033). Nickelpicromerite (single-crystal X-ray data, R?=?0.028) is isostructural to other picromerite-group minerals and synthetic Tutton’s salts. Its crystal structure consists of [Ni(H₂O)₆]²⁺ octahedra linked to (SO₄)^2? tetrahedra via hydrogen bonds. K⁺ cations are coordinated by eight anions. Nickelpicromerite is the product of alteration of primary sulfide minerals and the reaction of the acid Ni-sulfate solutions with biotite.     

Crystal chemistry of selenates with mineral-like structures. IV. Crystal structure of Zn(SeO<Subscript>4</Subscript>)(H<Subscript>2</Subscript>O)<Subscript>2</Subscript>, a new compound with a mixed framework of the variscite type

The crystal structure of a new compound Zn(SeO₄)(H₂O)₂ (orthorhombic, Pbca, a = 9.0411(13), b = 10.246(2), c = 10.3318(15) Å, V = 957.1(3) ų) has been solved by direct methods and refined to R ₁ = 0.033 on the basis of 1076 observed reflections with |F _hkl | ≥ 4σ|F _hkl |. The structure contains one independent Zn²⁺ cation coordinated by two water molecules and four oxygen atoms of selenate group. The only independent (SeO₄)^2? tetrahedral oxoanion is tetradentate, sharing its corners with four adjacent [Zn²⁺O₂(H₂O₄)]²⁺ octahedrons. The structure can be described as consisting of heteropolyhedral sheets parallel to the (001) plane and linked together into a three-dimensional network. The compound belongs to the variscite structure type and is the first structurally characterized selenate of this group.