From structure topology to chemical composition. XXV: new insights into the close packing of cations in the structures of the seidozerite-supergroup TS-block minerals

2018 ◽  
Vol 233 (3-4) ◽  
pp. 205-221
Author(s):  
Elena Sokolova ◽  
Fernando Cámara
Keyword(s):  
Chemical Composition ◽  
Structural Unit ◽  
Direct Interaction ◽  
Close Packing ◽  
Titanium Silicate ◽  
Octahedral Sheet ◽  
Structure Topology ◽  
And Topology ◽  
Block Form ◽  
Block Structures

AbstractThe titanium-silicate (TS) block is the main structural unit in the 45 seidozerite-supergroup minerals; it consists of a central O (O=Octahedral) sheet and two adjacent H (H=Heteropolyhedral) sheets where Si2O7groups occur in the H sheets. The three HOH sheets of the TS block form a three-layered close packing of cations with an ABC repeat; mean cation–cation distances are 3.41 Å. Minerals of the seidozerite supergroup are divided into four groups based on the content of Ti and topology and stereochemistry of the TS block: in rinkite, bafertisite, lamprophyllite and murmanite groups, Ti (+Nb+Zr+Fe3++Mg+Mn)=1, 2, 3 and 4 apfu, respectively. All TS-block structures consist either solely of TS blocks or of two types of block: the TS block and anI(intermediate) block that comprises atoms between two TS blocks. The TS block propagates close packing of cations into theIblock. There are two types of close-packed layers of cations in theIblock: (I) a layer of Na+and P5+with mean cation–cation distances of 3.41 Å and (II) a layer of Ba2+(+K+, Sr2+and Na+) with mean cation–cation distances of 4.73 Å. The general topology of the TS block is independent of the topology and chemical composition of theIblock. However direct interaction between TS andIblocks takes place in the crystal structures of jinshajiangite, bobshannonite, bafertisite, hejtmanite, delindeite and cámaraite. Interaction of Ba atoms in theIblock and F (+O) atoms of the TS block results in doubling of the minimal translations, 2t1and 2t2, and a concomitant change in symmetry of the structure from primitive toC-centered.

The seidozerite supergroup of TS-block minerals: nomenclature and classification, with change of the following names: rinkite to rinkite-(Ce), mosandrite to mosandrite-(Ce), hainite to hainite-(Y) and innelite-1T to innelite-1A

2017 ◽  
Vol 81 (6) ◽  
pp. 1457-1484 ◽  
Author(s):  
E. Sokolova ◽  
F. Cámara
Keyword(s):  
General Formula ◽  
Structural Unit ◽  
Alkaline Earth ◽  
Formula Unit ◽  
Minimal Cell ◽  
Titanium Silicate ◽  
Octahedral Sheet ◽  
And Topology ◽  
Block Structures ◽  
Alkaline Earth Cations

AbstractHere we report a nomenclature and classification for the seidozerite-supergroup minerals. The TS (Titanium-Silicate) block is the main structural unit in all seidozerite-supergroup structures; it consists of a central O (O = Octahedral) sheet and two adjacent H (H = Heteropolyhedral) sheets where Si2O7groups occur in the H sheets. The TS block is characterized by a planar minimal cell based on translation vectors, t1and t2, the lengths of these vectors are t1 ≈ 5.5 and t2 ≈ 7 Å, and t1 ^ t2 is close to 90°. The forty-five minerals of the sedozerite supergroup are divided into four groups based on the content of Ti and topology and stereochemistry of the TS block: in rinkite, bafertisite, lamprophyllite and murmanite groups, Ti (+ Nb + Zr + Fe3++Mg + Mn) = 1, 2, 3 and 4 apfu (atoms per formula unit), respectively. All TS-block structures consist either solely of TS blocks or of two types of block: the TS block and an I (Intermediate) block that comprises atoms between two TS blocks. Usually, the I block consists of alkali and alkaline-earth cations, H2O groups and oxyanions (PO4)3-, (SO4)2-and (CO3)2-.The general formula of the TS block is as follows AP2BP2MH2MO4(Si2O7)2X4+n, where MH2and MO4= cations of the H and O sheets; MH = Ti, Nb, Zr, Y, Mn, Ca + REE, Ca;MO = Ti, Zr, Nb, Fe3+, Fe2+, Mg, Mn, Zn, Ca, Na; AP and BP = cations at the peripheral (P) sites = Na, Ca + REE, Ca, Zn, Ba, Sr, K; X = anions = O, OH, F, H2O; XO4+n=XO4 +XPn, n = 0, 1, 1.5, 2, 4; XP= XPMand XPA= apical anions of MH and AP cations at the periphery of the TS block.

From Structure Topology to Chemical Composition. XXIX. Revision of the Crystal Structure of Perraultite, NaBaMn4Ti2(Si2O7)2O2(OH)2F, a Seidozerite-Supergroup TS-Block Mineral from the Oktyabr'skii Massif, Ukraine, and Discreditation of Surkhobite

2021 ◽  
Author(s):  
Elena Sokolova ◽  
Maxwell C. Day ◽  
Frank C. Hawthorne ◽  
Atali A. Agakhanov ◽  
Fernando Cámara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Structure Type ◽  
Titanium Silicate ◽  
Space Group ◽  
Structure Topology ◽  
Ideal Composition ◽  
Using Data ◽  
Cation Sites ◽  
The Ideal

ABSTRACT The crystal structure of perraultite from the Oktyabr'skii massif, Donetsk region, Ukraine (bafertisite group, seidozerite supergroup), ideally NaBaMn4Ti2(Si2O7)2O2(OH)2F, Z = 4, was refined in space group C to R1 = 2.08% on the basis of 4839 unique reflections [Fo > 4σFo]; a = 10.741(6), b = 13.841(8), c = 11.079(6) Å, α = 108.174(6), β = 99.186(6), γ = 89.99(1)°, V = 1542.7(2.7) Å3. Refinement was done using data from a crystal with three twin domains which was part of a grain used for electron probe microanalysis. In the perraultite structure [structure type B1(BG), B – basic, BG – bafertisite group], there is one type of TS (Titanium-Silicate) block and one type of I (Intermediate) block; they alternate along c. The TS block consists of HOH sheets (H – heteropolyhedral, O – octahedral). In the O sheet, the ideal composition of the five [6]MO sites is Mn4 apfu. There is no order of Mn and Fe2+ in the O sheet. The MH octahedra and Si2O7 groups constitute the H sheet. The ideal composition of the two [6]MH sites is Ti2 apfu. The TS blocks link via common vertices of MH octahedra. The I block contains AP(1,2) and BP(1,2) cation sites. The AP(1) site is occupied by Ba and the AP(2) site by K > Ba; the ideal composition of the AP(1,2) sites is Ba apfu. The BP(1) and BP(2) sites are each occupied by Na > Ca; the ideal composition of the BP(1,2) sites is Na apfu. We compare perraultite and surkhobite based on the work of Sokolova et al. (2020) on the holotype sample of surkhobite: space group C , R1 = 2.85 %, a = 10.728(6), b = 13.845(8), c = 11.072(6) Å, α = 108.185(6), β = 99.219(5), γ = 90.001(8)°, V = 1540.0(2.5) Å3; new EPMA data. We show that (1) perraultite and surkhobite have identical chemical composition and ideal formula NaBaMn4Ti2(Si2O7)2O2(OH)2F; (2) perraultite and surkhobite are isostructural, with no order of Na and Ca at the BP(1,2) sites. Perraultite was described in 1991 and has precedence over surkhobite, which was redefined as “a Ca-ordered analogue of perraultite” in 2008. Surkhobite is not a valid mineral species and its discreditation was approved by CNMNC IMA (IMA 20-A).

From structure topology to chemical composition.VIII. Titanium silicates: the crystal chemistry of mosandrite from type locality of Låven (Skådön), Langesundsfjorden, Larvik, Vestfold, Norway

2008 ◽  
Vol 72 (4) ◽  
pp. 887-897 ◽  
Author(s):  
E. Sokolova ◽  
F. Cámara
Keyword(s):  
Crystal Structure ◽  
Electron Microprobe ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Type Locality ◽  
Titanium Silicate ◽  
Structure Topology ◽  
Titanium Silicates ◽  
And Topology ◽  
Group I

AbstractThe crystal structure of mosandrite, ideally Na2Ca4REETi(Si2O7)2OF3, a = 7.4184(8), b = 5.6789(6), c = 18.873(2) Å, β = 101.410(2)°, V = 779.35(5) Å3, space group P21/c, Z = 2, Dcalc = 3.363 g.cm-3, from the type locality, Låven (Skådön), Langesundsfjorden, Larvik, Vestfold, Norway, has been refined to Ri = 6.33% on the basis of 1113 unique reflections F°≥4σF. Electron microprobe analysis gave the empirical formula Na1.99(Ca3.93Sr0.02)Σ3.95(Ce0.41La0.16Nd0.13Pr0.04Sm0.02Dy0.01Y0.13)Σ0.90 (Ti0.864+Nb0.08Zr0.05)Σ0.99(Si207)2(F1.20O0.80)Σ2.00F2, Z = 2, calculated on the basis of 18 (O + F) a.p.f.u.. The crystal structure of mosandrite is a framework of TS (titanium silicate) blocks. The TS block consists of HOH sheets (H-heteropolyhedral, O-octahedral). The TS block in mosandrite exhibits linkage and stereochemistry typical for Group I (Ti = 1 a.p.f.u.) Ti-disilicate minerals: two H sheets connect to the O sheet such that two (Si2O7) groups link to the trans edges of a Na polyhedron of the O sheet. The O sheet cations give Na(NaCa)Ti (4 a.p.f.u.). The TS blocks link via common vertices of (Si2O7) groups and common vertices and edges of Ca-dominant MH and Ap polyhedra. Two adjacent TS blocks are related by the glide plane cy. Composition and topology of the TS block in mosandrite and rinkite are identical. The crystal structure of mosandrite from the type locality is topologically and chemically identical to that of rinkite from the type locality of Kangerdluarssuk, Greenland.

From structure topology to chemical composition. XXVI. Crystal structure and chemical composition of a possible new mineral of the murmanite group (seidozerite supergroup), ideally Na2CaTi4(Si2O7)2O4(H2O)4, from the Lovozero alkaline massif, Kola Peninsula, Russia

2018 ◽  
Vol 83 (02) ◽  
pp. 199-207
Author(s):  
Elena Sokolova ◽  
Frank C. Hawthorne
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Kola Peninsula ◽  
Structure Refinement ◽  
Structural Formula ◽  
New Mineral ◽  
Titanium Silicate ◽  
Structure Topology ◽  
Alkaline Massif ◽  
The Ideal

AbstractThe crystal structure of a murmanite-related mineral (MRM) of the murmanite group (seidozerite supergroup), ideally Na2CaTi4(Si2O7)2O4(H2O)4, from Mt. Pyalkimpor, the Lovozero alkaline massif, Kola Peninsula, Russia, was refined in space group P$ {\bar 1} $ with a = 5.363(2), b = 7.071(2), c = 12.176(5) Å, α = 92.724(3), β = 107.542(7), γ = 90.13(2)°, V = 439.7(4) Å3 and R1 = 5.72%. On the basis of electron-microprobe analysis, the empirical formula calculated on 22 (O + F), with two constraints derived from structure refinement, OH = 0.11 per formula unit (pfu) and H2O = 3.89 pfu, is (Na2.12K0.07Sr0.01)Σ2.20Ca0.85(Ti3.01Nb0.39Mn0.20Fe2+0.19Mg0.17Zr0.01Al0.01)Σ3.98(Si4.20O14)[O3.90F0.10]Σ4[(H2O)3.89(OH)0.11]Σ4{P0.03}, with Z = 1. It seems unlikely that {P0.03} belongs to MRM itself. The crystal structure of MRM is an array of TS blocks (Titanium-Silicate) connected via hydrogen bonds. The TS block consists of HOH sheets (H = heteropolyhedral, O = octahedral) parallel to (001). In the O sheet, the Ti-dominant MO1 site and Ca-dominant MO2 site give ideally (Ca□)Ti2 pfu. In the H sheet, the Ti-dominant MH site and Na-dominant AP site give ideally Na2Ti2 pfu. The MH and AP polyhedra and Si2O7 groups constitute the H sheet. The ideal structural formula of MRM of the form AP2MH2MO4(Si2O7)2(XOM,A)4(XOA)2(XPM,A)4 is Na2Ti2(Ca□)Ti2(Si2O7)2O4(H2O)4. MRM is a Ca-rich and Na-poor analogue of murmanite, ideally Na2Ti2Na2Ti2(Si2O7)2O4(H2O)4 and a Na-rich and (OH)-poor analogue of calciomurmanite, ideally (Ca□)Ti2(Na□)Ti2(Si2O7)2O2[O(OH)](H2O)4. MRM and (murmanite and calciomurmanite) are related by the following substitutions: O(Ca2+□)MRM ↔ O(Na+2)mur and O(Ca2+□)MRM + H(Na+2)MRM + O(O2–)MRM ↔ O(Na+□)cal + H(Ca2+□)cal + O[(OH)–]cal. MRM is a possible new mineral of the murmanite group (seidozerite supergroup) where Ti + Mn + Mg = 4 apfu.

From structure topology to chemical composition. XXVII. Revision of the crystal chemistry of the perraultite-type minerals of the seidozerite supergroup: Jinshajiangite, surkhobite, and bobshannonite

2020 ◽  
Vol 58 (1) ◽  
pp. 19-43
Author(s):  
Elena Sokolova ◽  
Frank C. Hawthorne ◽  
Fernando Cámara ◽  
Giancarlo Della Ventura ◽  
Yulia A. Uvarova
Keyword(s):  
Chemical Composition ◽  
Structure Type ◽  
Titanium Silicate ◽  
Ideal Formula ◽  
Structure Topology ◽  
Ideal Composition ◽  
Using Data ◽  
Cation Sites ◽  
Triclinic Unit Cell ◽  
The Ideal

ABSTRACT The crystal structures of the three perraultite-type minerals (bafertisite group, seidozerite supergroup)—jinshajiangite from Norra Kärr, Sweden, ideally NaBaFe2+4Ti2(Si2O7)2O2(OH)2F, Z = 4; surkhobite (holotype) from the Darai-Pioz massif, Tajikistan, ideally NaBaMn4Ti2(Si2O7)2O2(OH)2F, Z = 4; and bobshannonite (holotype) from Mont Saint-Hilaire, Canada, ideally Na2KBa(Mn7Na)Nb4(Si2O7)4O4(OH)4O2, Z = 2—were refined in space group C to R1 = 2.73, 2.85, and 2.02% on the basis of 2746, 2657, and 4963 unique reflections [Fo > 4σFo], respectively. Refinement was done using data from twinned crystals (jinshajiangite: three twin components; surkhobite and bobshannonite: two twin components). The parameters of a C-centered triclinic unit cell are as follows: jinshajiangite: a = 10.720(5), b = 13.823(7), c = 11.044(6) Å, α = 108.222(6), β = 99.28(1), γ = 89.989(6)°, V = 1532.0(2.2) Å3; surkhobite: a = 10.728(6), b = 13.845(8), c = 11.072(6) Å, α = 108.185(6), β = 99.219(5), γ = 90.001(8)°, V = 1540.0(2.5) Å3; and bobshannonite: a = 10.831(7), b = 13.903(9), c = 11.149(8) Å, α = 108.145(6), β = 99.215(9), γ = 90.007(7)°, V = 1572.6(3.2) Å3. New electron microprobe data are reported for the holotype surkhobite and new IR data for jinshajiangite. In the perraultite-type structure (structure type B1BG, B – basic, BG – bafertisite group), there is one type of TS (Titanium-Silicate) block and one type of I (Intermediate) block; they alternate along c. The TS block consists of HOH sheets (H-heteropolyhedral, O-octahedral). In the O sheet, the ideal composition of the five [6]MO sites is Fe2+4apfu (jinshajiangite), Mn4apfu (surkhobite), and (Mn7Na) (bobshannonite). There is no order of Fe2+ and Mn in the O sheet. In the H sheet, the ideal composition of the two [6]MH sites is Ti2apfu (jinshajiangite, surkhobite) and Nb4apfu (bobshannonite). The four [4]Si sites are occupied solely by Si. The MH octahedra and Si2O7 groups constitute the H sheet. The TS blocks link via common vertices of MH octahedra. The I block contains AP(1,2) and BP(1,2) cation sites. In the I block of jinshajiangite and surkhobite, the AP(1) site is occupied by Ba and the AP(2) site by K > Ba; the ideal composition of the two AP(1,2) sites is Ba apfu. In the I block of bobshannonite, Ba and K are ordered at the AP(1) and AP(2) sites, Ba:K ∼ 1:1 , ideally BaK apfu. The two BP(1,2) sites are each occupied by Na > Ca, ideally Na apfu (jinshajiangite, surkhobite) and solely by Na, ideally Na2apfu (bobshannonite). There is no order of Na and Ca at the BP(1,2) sites in jinshajiangite and surkhobite [currently defined as a Ca-ordered analogue of perraultite, ideally NaBaMn4Ti2(Si2O7)2O2(OH)2F, Z = 4]. The ideal formulae of surkhobite, KBa3Ca2Na2Mn16Ti8(Si2O7)8O8(OH)4(F,O,OH)8 (current IMA formula) and of bobshannonite, Na2KBa(Mn,Na)8(Nb,Ti)4(Si2O7)4O4(OH)4(O,F)2 (current IMA formula) have been revised as follows: NaBaMn4Ti2(Si2O7)2O2(OH)2F, Z = 4 (surkhobite) and Na2KBa(Mn7Na)Nb4(Si2O7)4O4(OH)4O2, Z = 2 (bobshannonite). The revised ideal formula of surkhobite is identical to the ideal formula of perraultite and hence surkhobite should be discredited.

scholarly journals From structure topology to chemical composition. XX. Titanium silicates: the crystal structure of hejtmanite, Ba2Mn4Ti2(Si2O7)2O2(OH)2F2, a Group-II TS-block mineral

2016 ◽  
Vol 80 (5) ◽  
pp. 841-853 ◽  
Author(s):  
E. Sokolova ◽  
F. Cámara ◽  
F. C. Hawthorne ◽  
L. A. Pautov
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Structure Refinement ◽  
Central Province ◽  
Crystal Structure Refinement ◽  
Titanium Silicate ◽  
Oh Groups ◽  
Structure Topology ◽  
Titanium Silicates ◽  
Group Ii

AbstractThe crystal structure of hejtmanite, Ba2Mn4Ti2(Si2O7)2O2(OH)2F2, from Mbolve Hill, Mkushi River area, Central Province, Zambia (holotype material) has been refined on a twinned crystal toR1= 1.88% on the basis of 4539 [|F| > 4|F|] reflections. Hejtmanite is triclinic,C1̅,a= 10.716(2),b= 13.795(3),c= 11.778 (2) , = 90.07(3), = 112.24(3), = 90.03(3),V= 1612(2)3. Chemical analysis (electron microprobe) gives: Ta2O50.09, Nb2O51.27, ZrO20.65, TiO214.35, SiO223.13, BaO 26.68, SrO 0.19, FeO 11.28, MnO 15.12, Cs2O 0.05, K2O 0.33, F 3.82, H2Ocalc. 1.63, O = F 1.61, total 97.10 wt.%, where the H2O content was calculated from the crystal-structure refinement, with (OH F) = 4 apfu. The empirical formula, calculated on the basis of 20 (O F) anions, is of the form(Si2O7)2(XO)4(XP)2, Z=4: (Ba1.82K0.07Sr0.02)Σ1.91(Mn2.33Zr0.04Mg0.03)Σ3.95(Ti1.88Nb0.10Zr0.02)Σ2(Si2.02O7)2O2[(OH)1.89F0.11]Σ2F2. The crystal structure is a combination of a TS (Titanium Silicate) block and an I (intermediate) block. The TS block consists of HOH sheets (H heteropolyhedral, O octahedral). The topology of the TS block is as in Group-II TS-block minerals: Ti ( Nb) = 2 apfu per (Si2O7)2[as defined by Sokolova (2006)]. In the O sheet, five[6]MOsites are occupied mainly by Mn, less Fe2and minor Zr and Mg, with <MOφ> = 2.198 (φ = O,OH), ideally giving Mn4apfu. In the H sheet, two[6]MHsites are occupied mainly by Ti, with <MHφ> = 1.962 (φ = O,F), ideally giving Ti2apfu; four[4]Sisites are occupied by Si, with < SiO> = 1.625 . The MHoctahedra and Si2O7groups constitute the H sheet. The two[12]Ba-dominant AP(1,2) sites, with <APφ> = 2.984 (φ = O, F), ideally give Ba2apfu. Two(1,2) and two(1,2) sites are occupied by O atoms and OH groups with minor F, respectively, ideally giving (XO)4= ()2()2=O2(OH)2pfu. Two(1,2) sites are occupied by F, giving F2apfu. TS blocks link via a layer of Ba atoms which constitute the I block. Simplified and end-member formulae of hejtmanite are Ba2(Mn,Fe2)4Ti2(Si2O7)2O2(OH,F)2F2and Ba2Mn4Ti2(Si2O7)2O2(OH)2F2,Z= 4. Hejtmanite is a Mn-analogue of bafertisite, Ba24 Ti2(Si2O7)2O2(OH)2F2.

scholarly journals From structure topology to chemical composition. VI. Titanium silicates: the crystal structure and crystal chemistry of bornemanite, a group III Ti-disilicate mineral

2007 ◽  
Vol 71 (06) ◽  
pp. 593-610 ◽  
Author(s):  
F. Cámara ◽  
E. Sokolova
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Electron Microprobe ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Titanium Silicate ◽  
Group Iii ◽  
Structure Topology ◽  
Titanium Silicates ◽  
Alkaline Massif

Abstract The crystal structure of bornemanite, ideally Na6☐BaTi2Nb(Si2O7)2(PO4)O2(OH)F, a = 5.4587(3), b = 7.1421(5), c = 24.528(2) Å, α = 96.790(1), β = 96.927(1), γ = 90.326(1)°, V = 942.4(2) Å3, space group (P1̄), Z = 2, Dcalc. = 3.342 g cm–3, from the Lovozero alkaline massif, Kola Peninsula, Russia, has been solved and refined to R1 = 6.36% on the basis of 4414 unique reflections (Fo &gt;4sF). Electron microprobe analysis yielded the empirical formula (Na6.07Mn2+ 0.23Ca0.06☐0.64)Σ 7.00 (Ba0.73K0.13Sr0.06☐0.08)Σ 1.00(Ti2.05Nb0.80Zr0.02Ta5+ 0.01Fe3+ 0.03Al0.02Mn2+ 0.06Mg0.01)Σ 3.00(Si2O7)2(P0.97O4)O2 [F1.27(OH)0.74]Σ 2.01. The crystal structure of bornemanite is a combination of a TS (titanium silicate) block and an I (intermediate) block. The TS block consists of HOH sheets (H-heteropolyhedral, O-octahedral). The TS block exhibits linkage and stereochemistry typical for Group III (Ti = 3 a.p.f.u.) of Ti-disilicate minerals: two H sheets connect to the O sheet such that two (Si2O7) groups link to the trans edges of a Ti octahedron of the O sheet. The O sheet cations give Na3Ti (4 a.p.f.u.). The TS block has two different H sheets, H1 and H2, where (Si2O7) groups link to [5]Ti and [6]Nb polyhedra, and there are two peripheral sites which are occupied by Ba and Na, respectively. There are two I blocks: the I1 block is a layer of Ba atoms; the I2 block consists of Na polyhedra and (PO4) tetrahedra.

Chemical Composition and Topology of Poly(lactide-co-glycolide) Revealed by Pushing MALDI-TOF MS to Its Limit

2006 ◽  
Vol 118 (25) ◽  
pp. 4210-4214 ◽  
Author(s):  
Saskia Huijser ◽  
Bastiaan B. P. Staal ◽  
Juan Huang ◽  
Robbert Duchateau ◽  
Cor E. Koning
Keyword(s):  
Chemical Composition ◽  
Maldi Tof Ms ◽  
Maldi Tof ◽  
And Topology ◽  
Tof Ms

scholarly journals From structure topology to chemical composition. XXIII. Revision of the crystal structure and chemical formula of zvyaginite, Na2ZnTiNb2(Si2O7)2O2(OH)2(H2O)4, a seidozerite-supergroup mineral from the Lovozero alkaline massif, Kola peninsula, Russia

2017 ◽  
Vol 81 (6) ◽  
pp. 1533-1550 ◽  
Author(s):  
E. Sokolova ◽  
A. Genovese ◽  
A. Falqui ◽  
F.C. Hawthorne ◽  
F. Cámara
Keyword(s):  
Crystal Structure ◽  
Kola Peninsula ◽  
Microprobe Analysis ◽  
Structural Formula ◽  
Chemical Formula ◽  
Titanium Silicate ◽  
Structure Topology ◽  
Diffraction Patterns ◽  
Alkaline Massif ◽  
The Ideal

AbstractThe crystal structure and chemical formula of zvyaginite, ideally Na2ZnTiNb2(Si2O7)2O2(OH)2(H2O)4, a lamprophyllite-group mineral of the seidozerite supergroup from the type locality, Mt. Malyi Punkaruaiv, Lovozero alkaline massif, Kola Peninsula, Russia have been revised. The crystal structurewas refined with a new origin in space group C1, a = 10.769(2), b = 14.276(3), c = 12.101(2) Å, α = 105.45(3), β = 95.17(3), γ = 90.04(3)°, V = 1785.3(3.2) Å3, R1 = 9.23%. The electron-microprobe analysis gave the following empirical formula [calculated on 22 (O + F)]: (Na0.75Ca0.09K0.04□1.12)Σ2 (Na1.12Zn0.88Mn0.17Fe2+0.04□0.79)Σ3 (Nb1.68Ti1.25Al0.07)Σ3 (Si4.03O14)O2 [(OH)1.11F0.89]Σ2(H2O)4, Z = 4. Electron-diffraction patterns have prominent streaking along c* and HRTEM images show an intergrowth of crystalline zvyaginite with two distinct phases, both of which are partially amorphous. The crystal structure of zvyaginite is an array of TS (Titanium-Silicate) blocks connected via hydrogen bonds between H2O groups. The TS block consists of HOH sheets (H = heteropolyhedral, O = octahedral) parallel to (001). In the O sheet, the [6]MO(1,4,5) sites are occupied mainly by Ti, Zn and Na and the [6]MO(2,3) sites are occupied by Na at less than 50%. In the H sheet, the [6]MH(1,2) sites are occupied mainly by Nb and the [8]AP(1) and [8]AP(2) sites are occupied mainly by Na and □. The MH and AP polyhedra and Si2O7 groups constitute the H sheet. The ideal structural formula is Na□Nb2NaZn□Ti(Si2O7)2O2(OH)2(H2O)4. Zvyaginite is a Zn-bearing and Na-poor analogue of epistolite, ideally (Na□)Nb2Na3Ti(Si2O7)2O2(OH)2(H2O)4. Epistolite and zvyaginite are related by the following substitution in the O sheet of the TS-block: (Naþ 2 )epi↔Zn2+ zvy +□zvy. The doubling of the t1 and t2 translations of zvyaginite relative to those of epistolite is due to the order of Zn and Na along a (t1) and b (t2) in the O sheet of zvyaginite.

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