Bojarite, Cu3(N3C2H2)3(OH)Cl2⋅6H2O, a new mineral species with a microporous metal–organic framework from the guano deposit at Pabellón de Pica, Iquique Province, Chile

2020 ◽  
pp. 1-7
Author(s):  
Nikita V. Chukanov ◽  
Gerhard Möhn ◽  
Natalia V. Zubkova ◽  
Dmitry A. Ksenofontov ◽  
Igor V. Pekov ◽  
...  
Keyword(s):  
Rietveld Method ◽  
Metal Organic Framework ◽  
New Mineral ◽  
X Ray Diffraction ◽  
X Ray ◽  
Fine Grained ◽  
New Mineral Species ◽  
Metal Organic ◽  
Mohs Hardness ◽  
Final Agreement

Abstract The new triazolate mineral bojarite (IMA2020-037), Cu3(N3C2H2)3(OH)Cl2⋅6H2O, is found in a guano deposit located at the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are salammoniac, halite, nitratine and belloite. Bojarite occurs as blue fine-grained porous aggregates up to 1 mm × 3 mm × 5 mm combined typically in interrupted earthy crusts. The mineral is brittle. The Mohs hardness is 2. Dcalc = 2.057 g cm–3. The IR and Raman spectra show the presence of the 1,2,4-triazolate anion and H2O molecules. Bojarite is optically isotropic and n = 1.635(2) (λ = 589 nm). The chemical composition (electron-microprobe data for Na, Mg, Fe, Cu and Cl; H, C and N contents measured by gas chromatography on products of ignition at 1200°C; wt.%) is: Na 0.22, Mg 0.74, Fe 0.99, Cu 29.73, Cl 13.62, N 20.4, C 11.6, H 3.3, O (calculated by stoichiometry) 19.93, total 100.53. The empirical formula is (Cu2.68Mg0.17Fe0.10Na0.05)Σ3(N3C2H2)2.755[(OH)][Cl2.19(H2O)3.77(OH)0.04]Σ6⋅2.3H2O. The idealised formula is Cu3(N3C2H2)3(OH)Cl2⋅6H2O. The crystal structure of bojarite was refined based on powder X-ray diffraction data, using the Rietveld method. The final agreement factors are: Rp = 0.0225, Rwp = 0.0310 and Robs = 0.0417. The new mineral is cubic, space group Fd $\bar{3}$ c; a = 24.8047(5) Å, V = 15,261.6(5) Å3 and Z = 32. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%)(hkl)] are: 8.83 (31)(220), 7.19 (100)(222), 6.23 (35)(400), 5.077 (28)(422), 4.194 (28)(531), 3.584 (23)(444), 2.865 (28)(660, 751) and 2.723 (22)(753, 842).

Ammoniotinsleyite, (NH4)Al2(PO4)2(OH)⋅2H2O, a new mineral species from the guano deposit at Pabellón de Pica, Iquique Province, Chile

2020 ◽  
Vol 84 (5) ◽  
pp. 705-711 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Gerhard Möhn ◽  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
Dmitry A. Ksenofontov ◽  
...  
Keyword(s):  
Rietveld Method ◽  
New Mineral ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Group Mineral ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness ◽  
C And N ◽  
Final Agreement

AbstractThe new leucophosphite-group mineral ammoniotinsleyite is found in a guano deposit located on the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are halite, gypsum, salammoniac and clay minerals. Ammoniotinsleyite occurs as pink to pale violet globular aggregates up to 3 mm across with individual single crystals ~10–15 μm. The mineral is brittle. Its Mohs hardness is 4. Dmeas. = 2.42(2) g cm–3 and Dcalc. = 2.451 g cm–3. The IR spectrum shows the presence of NH4+ and PO43– groups and H2O molecules. Ammoniotinsleyite is optically biaxial (+), α = 1.557(2), β = 1.559 (calc.), γ = 1.563(2) (λ = 589 nm); and 2Vmeas. = 75(10)°. The chemical composition (K, Mg, Ca, Al, Fe and P from electron-microprobe data; H, C and N measured by gas chromatography on products of ignition at 1200°C; wt.%) is: (NH4)2O 7.25, K2O 1.50, MgO 0.42, CaO 0.34, Al2O3 29.91, Fe2O3 2.36, P2O5 43.97, H2O 14.89, CO2 below detection limit, total 100.64. The empirical formula is [(NH4)0.88K0.10Ca0.02)]Σ1.00(Al1.86Fe3+0.09Mg0.03)Σ1.98(PO4)1.96(OH)1.05⋅2.11H2O. The idealised formula is (NH4)2Al2(PO4)2(OH)⋅2H2O. The crystal structure of ammoniotinsleyite was refined based on powder X-ray diffraction data, using the Rietveld method. The final agreement factors are: Rp = 0.0071, Rwp = 0.0093 and Robs = 0.0167. The new mineral is isostructural with tinsleyite, spheniscidite and leucophosphite. It is monoclinic, space group P21/n, a = 9.5871(1) Å, b = 9.6089(1) Å, c = 9.6467(2) Å, β = 103.4461(8)°, V = 864.31(2) Å3 and Z = 4. The strongest reflections of the powder X-ray diffraction pattern [d,Å(I,%)(hkl)] are: 7.56(23)($\bar{1}$01), 6.71(79)(011, 110), 5.947(100)(101, $\bar{1}$11), 4.676(36)(002, 200), 3.032(28)($\bar{1}$13, 031, 130), 2.958(25)($\bar{2}$22, 310, $\bar{1}$31) and 2.635(29)($\bar{2}$31).

Nestolaite, CaSeO3·H2O, a new mineral from the Little Eva mine, Grand County, Utah, USA

2014 ◽  
Vol 78 (3) ◽  
pp. 497-505 ◽  
Author(s):  
A. V. Kasatkin ◽  
J. Plášil ◽  
J. Marty ◽  
A. A. Agakhanov ◽  
D. I. Belakovskiy ◽  
...  
Keyword(s):  
Refractive Indices ◽  
New Mineral ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Bending Vibrations ◽  
X Ray ◽  
High Birefringence ◽  
New Mineral Species ◽  
Perfect Cleavage ◽  
Mohs Hardness

AbstractNestolaite (IMA 2013-074), CaSeO3·H2O, is a new mineral species from the Little Eva mine, Grand County, Utah, USA. It is named in honour of the prominent Italian mineralogist and crystallographer Fabrizio Nestola. The new mineral was found on sandstone matrix as rounded aggregates up to 2 mm across and up to 0.05 μm thick consisting of tightly intergrown oblique-angled, flattened to acicular crystals up to 30 μm long and up to 7 μm (very rarely up to 15 μm) thick. Nestolaite associates with cobaltomenite, gypsum, metarossite, orschallite and rossite. The new mineral is light violet and transparent with a white streak and vitreous lustre. The Mohs hardness is 2½. Nestolaite is brittle, has uneven fracture and perfect cleavage on {100}. The measured and calculated densities are Dmeas. = 3.18(2) g/cm3 and Dcalc. = 3.163 g/cm3. Optically, nestolaite is biaxial positive. The refractive indices are α = 1.642(3), β = 1.656(3), γ = 1.722(6). The measured 2V is 55(5)° and the calculated 2V is 51°. In transmitted light nestolaite is colourless. It does not show pleochroism but has strong pseudoabsorption caused by high birefringence. The chemical composition of nestolaite (wt.%, electronmicroprobe data) is: CaO 28.97, SeO2 61.14, H2O (calc.) 9.75, total 99.86. The empirical formula calculated on the basis of 4 O a.p.f.u. (atoms per formula unit) is Ca0.96Se1.02O3·H2O. The Raman spectrum is dominated by the Se–O stretching and O–Se–O bending vibrations of the pyramidal SeO3 groups and O–H stretching modes of the H2O molecules. The mineral is monoclinic, space group P21/c, with a = 7.6502(9), b = 6.7473(10), c = 7.9358(13) Å, β = 108.542 (12)°, V = 388.37(10) Å3 and Z = 4. The eight strongest powder X-ray diffraction lines are [dobs in Å(hkl) (Irel)]: 7.277 (100)(100), 4.949 (110)(37), 3.767 (002)(29), 3.630 (200)(58), 3.371 (020)(24), 3.163 (02)(74), 2.9783 (21)(74) and 2.7231 (112)(31). The crystal structure of nestolaite was determined by means of the Rietveld refinement from the powder data to Rwp = 0.019. Nestolaite possesses a layered structure consisting of CaΦ–SeO3 sheets, composed of edge-sharing polyhedra. Adjacent sheets are held by H bonds emanating from the single (H2O) group within the sheets. The nestolaite structure is topologically unique.

Hylbrownite, Na3MgP3O10·12H2O, a new triphosphate mineral from the Dome Rock Mine, South Australia: description and crystal structure

2013 ◽  
Vol 77 (3) ◽  
pp. 385-398 ◽  
Author(s):  
P. Elliott ◽  
J. Brugger ◽  
T. Caradoc-Davies ◽  
A. Pring
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
South Australia ◽  
New Mineral ◽  
Monoclinic Space Group ◽  
Thick Sheet ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractHylbrownite, ideally Na3MgP3O10·12H2O, the second known triphosphate mineral, is a new mineral species from the Dome Rock mine, Boolcoomatta Reserve, Olary Province, South Australia, Australia. The mineral forms aggregates and sprays of crystals up to 0.5 mm across with individual crystals up to 0.12 mm in length and 0.02 mm in width. Crystals are thin prismatic to acicular in habit and are elongate along [001]. Forms observed are {010}, {100}, {001}, {210} and {201}. Crystals are colourless to white, possess a white streak, are transparent, brittle, have a vitreous lustre and are nonfluorescent. The measured density is 1.81(4) g cm−3; Mohs' hardness was not determined. Cleavage is good parallel to {001} and to {100} and the fracture is uneven. Hylbrownite crystals are nonpleochroic, biaxial (−), with α = 1.390(4), β = 1.421(4), γ = 1.446(4) and 2Vcalc. = 82.2°. Hylbrownite is monoclinic, space group P21/n, with a = 14.722(3), b = 9.240(2), c = 15.052(3) Å, β = 90.01(3)°, V = 2047.5(7) Å3, (single-crystal data) and Z = 4. The strongest lines in the powder X-ray diffraction pattern are [d (Å)(I)(hkl)]: 10.530(60)(10,101), 7.357(80)(200), 6.951(100)(11, 111), 4.754(35)(10, 103), 3.934(40)(022), 3.510(45)(30, 303), 3.336(35)(41, 411). Chemical analysis by electron microprobe gave Na2O 16.08, MgO 7.08, CaO 0.43, P2O5 37.60, H2Ocalc 38.45, total 99.64 wt.%. The empirical formula, calculated on the basis of 22 oxygen atoms is Na2.93Mg0.99Ca0.04P2.99O9.97·12.03H2O. The crystal structure was solved from single-crystal X-ray diffraction data using synchrotron radiation (T = 123 K) and refined to R1 = 4.50% on the basis of 2417 observed reflections with F0 > 4 σ(F0). [Mg(H2O)3P3O10] clusters link in the b direction to Naφ6 octahedra, by face and corner sharing. Edge sharing Naφ6 Octahedra and Naφ7 polyhedra form Na2O9 groups which link via corners to form chains along the b direction. Chains link to [Mg(H2O)3P3O10] clusters via corner-sharing in the c direction and form a thick sheet parallel to (100). Sheets are linked in the a direction via hydrogen bonds.

Shilovite, natural copper(II) tetrammine nitrate, a new mineral species

2015 ◽  
Vol 79 (3) ◽  
pp. 613-623 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey N. Britvin ◽  
Gerhard Möhn ◽  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
Copper Complex ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new mineral shilovite, the first natural tetrammine copper complex, was found in a guano deposit located on the Pabellón de Pica Mountain, near Chanabaya, Iquique Province, Tarapacá Region, Chile. It is associated with halite, ammineite, atacamite (a product of ammineite alteration) and thénardite. The gabbro host rock consists of amphibole, plagioclase and minor clinochlore, and contains accessory chalcopyrite. The latter is considered the source of Cu for shilovite. The new mineral occurs as deep violet blue, imperfect, thick tabular to equant crystals up to 0.15 mm in size included in massive halite. The mineral is sectile. Its Mohs hardness is 2. Dcalc is 1.92 g cm–3. The infrared spectrum shows the presence of NH3 molecules and NO3– anions. Shilovite is optically biaxial (+), α = 1.527(2), β = 1.545(5), γ = 1.610(2). The chemical composition (electron-microprobe data, H calculated from ideal formula, wt.%) is Cu 26.04, Fe 0.31, N 30.8, O 35.95, H 4.74, total 100.69. The empirical formula is H12.56(Cu1.09Fe0.01)N5.87O6.00. The idealized formula is Cu(NH3)4(NO3)2. The crystal structure was solved and refined to R = 0.029 based upon 2705 unique reflections having F > 4σ(F). Shilovite is orthorhombic, space group Pnn2, a = 23.6585(9), b = 10.8238(4), c = 6.9054(3) Å, V = 1768.3(1) Å3, Z = 8. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are: 5.931 (41) (400), 5.841 (100) (011), 5.208 (47) (410), 4.162 (88) (411), 4.005 (62) (420), 3.462 (50) (002), 3.207 (32) (031), 2.811 (40) (412).

Antipinite, KNa3Cu2(C2O4)4, a new mineral species from a guano deposit at Pabellón de Pica, Chile

2015 ◽  
Vol 79 (5) ◽  
pp. 1111-1121 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Ramiza K. Rastsvetaeva ◽  
Konstantin A. Lyssenko ◽  
Dmitriy I. Belakovskiy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Gas Chromatography ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new oxalate mineral antipinite is found in a guano deposit located on the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are halite, salammoniac, chanabayaite, joanneumite and clays. Antipinite occurs as blue, imperfect, short prismatic crystals up to 0.1 mm × 0.1 mm × 0.15 mm in size, as well as their clusters and random aggregates. The mineral is brittle. Mohs hardness is 2; Dmeas = 2.53(3), Dcalc = 2.549 g cm–3. The infrared spectrum shows the presence of oxalate anions and the absence of absorptions associated with H2O molecules, C–H bonds, CO32–, NO3– and OH– ions. Antipinite is optically biaxial (+), α = 1.432(3), β = 1.530(1), γ = 1.698(5), 2Vmeas = 75(10)°, 2Vcalc = 82°. The chemical composition (electron-microprobe data, C measured by gas chromatography of products of ignition at 1200°C, wt.%) is Na2O 15.95, K2O 5.65, CuO 27.34, C2O3 48.64, total 99.58. The empirical formula is K0.96Na3.04Cu2.03(C2.00O4)4 and the idealized formula is KNa3Cu2(C2O4)4. The crystal structure was solved and refined to R = 0.033 based upon 4085 unique reflections with I > 2σ(I). Antipinite is triclinic, space group P1, a = 7.1574(5), b = 10.7099(8), c = 11.1320(8) Å, α = 113.093(1), β = 101.294(1), γ = 90.335 (1)°, V = 766.51(3) Å3, Z = 2. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are 5.22 (40) (111), 3.47 (100) (032), 3.39 (80) (210), 3.01 (30) (033, 220), 2.543 (40) (122, 034, 104), 2.481 (30) (213), 2.315 (30) (143, 310), 1.629 (30) (146, 414, 243, 160).

Triazolite, NaCu2(N3C2H2)2(NH3)2Cl3·4H2O, a new mineral species containing 1,2,4-triazolate anion, from a guano deposit at Pabellón de Pica, Iquique Province, Chile

2018 ◽  
Vol 82 (4) ◽  
pp. 1007-1014 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Natalia V. Zubkova ◽  
Gerhard Möhn ◽  
Igor V. Pekov ◽  
Dmitriy I. Belakovskiy ◽  
...  
Keyword(s):  
Direct Methods ◽  
New Mineral ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Ammine Complex ◽  
X Ray ◽  
Deep Blue ◽  
New Mineral Species ◽  
Mohs Hardness

ABSTRACTThe new mineral triazolite is found in a guano deposit located on the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are salammoniac, halite, dittmarite, joanneumite, chanabayaite, nitratine, natroxalate and möhnite. Triazolite occurs as deep blue prismatic crystals up to 0.1 mm × 0.15 mm × 0.75 mm and their radial aggregates up to 1.5 mm across. The mineral is brittle. Its Mohs hardness is 2.Dcalc= 2.028 g cm–3. The infrared spectrum shows the presence of 1,2,4-triazolate anion and ammonia and water molecules. Triazolite is optically biaxial (–), α = 1.582(4), β = 1.625(3), γ = 1.625(3) and 2Vmeas= 5(3)°. The chemical composition (electron-microprobe data for Cl, Na, Fe and Cu; H, C, N and S contents were measured by gas chromatography of products of ignition at 1200°C; wt.%) is: Na 4.91, Fe 1.51, Cu 22.06, Cl 19.80, S 1.4, C 7.7, H 4.4, N 24.2, O (calc.) 12.83, total 98.81. The empirical formula is Na1.14(Cu1.86Fe0.14)(Cl2.99S0.23)N9.23C3.43H23.34O4.29. The idealized formula is NaCu2(N3C2H2)2(NH3)2Cl3·4H2O. Triazolite is a metalorganic ammine complex in which 1,2,4-triazolate anion and ammonia molecule are ligands coordinating Cu2+. The crystal structure was solved by direct methods and refined toR= 0.0242 based on 4210 unique reflections withI> 2σ(I). Triazolite is orthorhombic, space groupP212121,a= 19.3575(5),b= 7.15718(19),c= 12.5020(4) Å,V= 1732.09(8) Å3andZ= 4. The eight strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are: 10.22 (97) (101), 6.135 (40) (011), 5.696 (17) (301), 5.182 (59) (202), 5.119 (100) (211), 4.854 (19) (400), 3.752 (16) (312, 501), 3.294 (18) (221). Triazolite is named for the presence of 1,2,4-triazolate anion.

Barlowite, Cu4FBr(OH)6, a new mineral isotructural with claringbullite: description and crystal structure

2014 ◽  
Vol 78 (7) ◽  
pp. 1755-1762 ◽  
Author(s):  
Peter Elliott ◽  
Mark A. Cooper ◽  
Allan Pring
Keyword(s):  
Empirical Formula ◽  
Small Variation ◽  
New Mineral ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Mineral Species ◽  
Perfect Cleavage ◽  
Mohs Hardness ◽  
Hexagonal Crystals

AbstractThe new mineral species barlowite, ideally Cu4FBr(OH)6, has been found at the Great Australia mine, Cloncurry, Queensland, Australia. It is the Br and F analogue of claringbullite. Barlowite forms thin blue, platy, hexagonal crystals up to 0.5 mm wide in a cuprite-quartz-goethite matrix associated with gerhardtite and brochantite. Crystals are transparent to translucent with a vitreous lustre. The streak is sky blue. The Mohs hardness is 2–2.5. The tenacity is brittle, the fracture is irregular and there is one perfect cleavage on {001}. Density could not be measured; the mineral sinks in the heaviest liquid available, diluted Clerici solution (D &3.8 g/cm3). The density calculated from the empirical formula is 4.21 g/cm3. Crystals are readily soluble in cold dilute HCl. The mineral is optically non-pleochroic and uniaxial (–). The following optical constants measured in white light vary slightly suggesting a small variation in the proportions of F, Cl and Br: ω 1.840(4)–1.845(4) and ε 1.833(4)–1.840(4). The empirical formula, calculated on the basis of 18 oxygen atoms and H2O calculated to achieve 8 anions and charge balance, is Cu4.00F1.11Br0.95Cl0.09(OH)5.85. Barlowite is hexagonal, space group P63/mmc, a = 6.6786(2), c = 9.2744(3) Å , V = 358.251(19) Å3, Z = 2. The five strongest lines in the powder X-ray diffraction pattern are [d(Å )(I)(hkl)]: 5.790(100)(010); 2.889(40)(020); 2.707(55)(112); 2.452(40)(022); 1.668(30)(220).

Hingganite-(Nd), Nd2□Be2Si2O8(OH)2, a new gadolinite-supergroup mineral from Zagi Mountain, Pakistan

2020 ◽  
Vol 58 (5) ◽  
pp. 549-562
Author(s):  
Anatoly V. Kasatkin ◽  
Fabrizio Nestola ◽  
Radek Škoda ◽  
Nikita V. Chukanov ◽  
Atali A. Agakhanov ◽  
...  
Keyword(s):  
New Mineral ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Average Chemical Composition ◽  
X Ray ◽  
Conchoidal Fracture ◽  
Icp Ms ◽  
Optical Axes ◽  
Mohs Hardness ◽  
Khyber Pakhtunkhwa Province

ABSTRACT Hingganite-(Nd), ideally Nd2□Be2Si2O8(OH)2, is a new gadolinite group, gadolinite supergroup mineral discovered at Zagi Mountain, near Kafoor Dheri, about 4 km S of Warsak and 30 km NW of Peshawar, Khyber Pakhtunkhwa Province, Pakistan. The new mineral forms zones measuring up to 1 × 1 mm2 in loose prismatic crystals up to 0.7 cm long, where it is intergrown with hingganite-(Y). Other associated minerals include aegirine, microcline, fergusonite-(Y), and zircon. Hingganite-(Nd) is dark greenish-brown, transparent, has vitreous luster and a white streak. It is brittle and has a conchoidal fracture. No cleavage or parting are observed. Mohs hardness is 5½–6. Dcalc. = 4.690 g/cm3. Hingganite-(Nd) is non-pleochroic, optically biaxial (+), α = 1.746(5), β = 1.766(5), γ = 1.792(6) (589 nm). 2Vmeas. = 80(7)°; 2Vcalc. = 84°. Dispersion of optical axes was not observed. The average chemical composition of hingganite-(Nd) is as follows (wt.%; electron microprobe, BeO, B2O3, and Lu2O3 content measured by LA-ICP-MS; H2O calculated by stoichiometry): BeO 9.64, CaO 0.45, MnO 0.10, FeO 3.03, B2O3 0.42, Y2O3 8.75, La2O3 1.63, Ce2O3 12.89, Pr2O3 3.09, Nd2O3 16.90, Sm2O3 5.97, Eu2O3 1.08, Gd2O3 5.15, Tb2O3 0.50, Dy2O3 2.50, Ho2O3 0.33, Er2O3 0.84, Tm2O3 0.10, Yb2O3 0.44, Lu2O3 0.04, ThO2 0.13, SiO2 23.55, H2O 2.72, total 100.25. The empirical formula calculated on the basis of 2 Si apfu is (Nd0.513Ce0.401Y0.395Sm0.175Gd0.145Pr0.096Dy0.068La0.051Ca0.041Eu0.031Er0.022Tb0.014Yb0.011Ho0.009Tm0.003Th0.003Lu0.001)Σ1.979(□0.778Fe2+0.215Mn0.007)Σ1.000(Be1.967B0.062)Σ2.029Si2O8.46(OH)1.54. Hingganite-(Nd) is monoclinic, space group P21/c with a = 4.77193(15), b = 7.6422(2), c = 9.9299(2) Å, β = 89.851(2)°, V = 362.123(14) Å3, and Z = 2. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.105 (95) (011), 4.959 (56) (002), 4.773 (100) (100), 3.462 (58) (102), 3.122 , 3.028 (61) (013), 2.864 (87) (121), 2.573 (89) (113). The crystal structure of hingganite-(Nd) was refined from single-crystal X-ray diffraction data to R = 0.034 for 2007 unique reflections with I > 2σ(I). The new mineral is named as an analogue of hingganite-(Y), hingganite-(Yb), and hingganite-(Ce), but with Nd dominant among the rare earth elements.

Synthesis and Structure of a Clathrated Two-Dimensional Metal-Organic Framework: [Cd(4,4'-bpy)2(H2O)2](ClO4)2·(L)2·H2O (L = Bis(1-pyrazinylethylidene)hydrazine)

2008 ◽  
Vol 73 (1) ◽  
pp. 24-31
Author(s):  
Dayu Wu ◽  
Genhua Wu ◽  
Wei Huang ◽  
Zhuqing Wang
Keyword(s):  
Metal Organic Framework ◽  
Channel Structure ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Square Planar ◽  
Metal Organic ◽  
Aqueous Meoh ◽  
Organic Framework

The compound [Cd(4,4'-bpy)2(H2O)2](ClO4)2·(L)2 was obtained by the reaction of Cd(ClO4)2, bis(1-pyrazinylethylidene)hydrazine (L) and 4,4'-bipyridine in aqueous MeOH. Single-crystal X-ray diffraction has revealed its two-dimensional metal-organic framework. The 2-D layers superpose on each other, giving a channel structure. The square planar grids consist of two pairs of shared edges with Cd(II) ion and a 4,4'-bipyridine molecule each vertex and side, respectively. The square cavity has a dimension of 11.817 × 11.781 Å. Two guest molecules of bis(1-pyrazinylethylidene)hydrazine are clathrated in every hydrophobic host cavity, being further stabilized by π-π stacking and hydrogen bonding. The results suggest that the hydrazine molecules present in the network serve as structure-directing templates in the formation of crystal structures.

Synthesis, crystal structure, luminescence, and photocatalytic properties of a 2D Cu(II) metal-organic frameworks based on 3,5-di(1H-benzimidazol-1-yl)pyridine and 4,4′-oxybis(benzoate) ligands

2020 ◽  
Vol 75 (8) ◽  
pp. 727-732
Author(s):  
Chen Zhang ◽  
Jian-Qing Tao
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Uv Light ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
X Ray Diffraction ◽  
X Ray ◽  
Uv Light Irradiation ◽  
Photocatalytic Activities ◽  
Metal Organic

AbstractA new Cu(II) metal-organic framework, [Cu(L)(OBA)·H2O]n (1) [H2OBA = 4,4′-oxybis(benzoic acid), L = 3,5-di(1H-benzimidazol-1-yl)pyridine] was hydrothermally synthesized and characterized through IR spectroscopy, elemental and thermal analysis and single-crystal X-ray diffraction. Complex 1 is a four-connected uni-nodal 2D net with a (44·62) topology which shows an emission centered at λ ∼393 nm upon excitation at λ = 245 nm. Moreover, complex 1 possesses high photocatalytic activities for the decomposition of Rhodamine B (RhB) under UV light irradiation.

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