scholarly journals Odikhinchaite, Na9Sr3[(H2O)2Na]Ca6Mn3Zr3NbSi (Si24O72)O(OH)3(CO3)·H2O, a New Eudialyte-Group Mineral from the Odikhincha Intrusion, Taimyr Peninsula, Russia

Minerals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1062
Author(s):  
Yuliya D. Gritsenko ◽  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Igor V. Pekov ◽  
Dmitry A. Varlamov ◽  
...  
Keyword(s):  
New Mineral ◽  
Taimyr Peninsula ◽  
Krasnoyarsk Krai ◽  
X Ray Diffraction ◽  
Pegmatite Vein ◽  
Eudialyte Group ◽  
Group Mineral ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The new eudialyte-group mineral, odikhinchaite, was discovered in a peralkaline pegmatite vein hosted by melteigite at the Odikhincha ultrabasic alkaline–carbonatite intrusion, Taimyr Peninsula, Krasnoyarsk Krai, Russia. Associated minerals are orthoclase, albite, aegirine, cancrinite, ancylite-(Ce), catapleiite, and wadeite. Odikhinchaite occurs as dense rosette-like aggregates up to 11 mm across, consisting of split lamellar individuals. The mineral is translucent to transparent, deep purple, with vitreous luster. Odikhinchaite is brittle, with uneven fracture; distinct cleavage on (001) is observed. Hardness determined by the micro-indentation method is equal to 430 kgf/mm2; the Mohs hardness is 5. D(meas.) is 2.97(1) g·cm−3, D(calc.) is 3.04 g·cm–3. Odikhinchaite is optically uniaxial (–), ω = 1.638(2), ε = 1.630(2). The IR spectrum shows the presence of the IVMn2+O4 polyhedra, H2O molecules and CO32– anions. The chemical composition is (electron microprobe, H2O determined by the modified Penfield method, CO2 determined by selection sorption of gaseous annealing products; wt%): Na2O 9.25, K2O 0.59, CaO 12.77, MnO 5.49, FeO 0.75, MgO 0.24, La2O3 0.38, Ce2O3 0.39, Nd2O3 0.15, Al2O3 0.07, SiO2 44.80, ZrO2 11.13, TiO2 0.07, Nb2O5 4.17, Cl 0.69, CO2 0.90, H2O 2.22, –O = Cl –0.16, total 99.72. The crystal structure was solved using single-crystal X-ray diffraction data. Odikhinchaite is trigonal, space group R3m; the unit-cell parameters are: a = 14.2837(2) Å, c = 30.0697(3) Å, V = 5313.04(12) Å3. The new mineral is isostructural with other 12-layered members of the eudialyte group with the space group R3m. Its crystal chemical formula is (Z = 3): {N1(Na2.58Ca0.42)N2[Na2.37Ca0.51(H2O)0.12]N3(Sr2.00K0.45Na0.35REE0.20)N4Na3N5[(H2O)1.8Na1.2]}{ZZr3M1Ca6M2(Mn2.49Fe2+0.51)[M3Nb(OH)1.82O1.18](M4SiOH)[Si3O9]2[Si9O27]2X1[(CO3)0.53Cl0.47]X2[(H2O)0.6(O,F)0.4]XM4(CO3)0.15. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 11.42 (64) (101), 4.309 (41) (205), 3.405 (53) (131), 3.208 (45) (208, 036), 3.167 (44) (217), 2.978 (100) (315), 2.858 (86) (404).

Sergevanite, Na15(Ca3Mn3)(Na2Fe)Zr3Si26O72(OH)3·H2O, a new eudialyte-group mineral from the Lovozero alkaline massif, Kola Peninsula

2020 ◽  
Vol 58 (4) ◽  
pp. 421-436 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Igor V. Pekov ◽  
Dmitriy I. Belakovskiy ◽  
Svetlana A. Vozchikova ◽  
...  
Keyword(s):  
Kola Peninsula ◽  
Structural Data ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Eudialyte Group ◽  
Group Mineral ◽  
X Ray ◽  
Mohs Hardness ◽  
Alkaline Massif

ABSTRACT The new eudialyte-group mineral sergevanite, ideally Na15(Ca3Mn3)(Na2Fe)Zr3Si26O72(OH)3·H2O, was discovered in highly agpaitic foyaite from the Karnasurt Mountain, Lovozero alkaline massif, Kola Peninsula, Russia. The associated minerals are microcline, albite, nepheline, arfvedsonite, aegirine, lamprophyllite, fluorapatite, steenstrupine-(Ce), ilmenite, and sphalerite. Sergevanite forms yellow to orange-yellow anhedral grains up to 1.5 mm across and the outer zones of some grains of associated eudialyte. Its luster is vitreous, and the streak is white. No cleavage is observed. The Mohs' hardness is 5. Density measured by equilibration in heavy liquids is 2.90(1) g/cm3. Calculated density is equal to 2.906 g/cm3. Sergevanite is nonpleochroic, optically uniaxial, positive, with ω = 1.604(2) and ε = 1.607(2) (λ = 589 nm). The infrared spectrum is given. The chemical composition of sergevanite is (wt.%; electron microprobe, H2O determined by HCN analysis): Na2O 13.69, K2O 1.40, CaO 7.66, La2O3 0.90, Ce2O3 1.41, Pr2O3 0.33, Nd2O3 0.64, Sm2O3 0.14, MnO 4.15, FeO 1.34, TiO2 1.19, ZrO2 10.67, HfO2 0.29, Nb2O5 1.63, SiO2 49.61, SO3 0.77, Cl 0.23, H2O 4.22, –O=Cl –0.05, total 100.22. The empirical formula (based on 25.5 Si atoms pfu, in accordance with structural data) is H14.46Na13.64K0.92Ca4.22Ce0.27La0.17Nd0.12Pr0.06Sm0.02Mn1.81Fe2+0.58Ti0.46Zr2.67Hf0.04Nb0.38Si25.5S0.30Cl0.20O81.35. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is trigonal, space group R3, with a = 14.2179(1) Å, c = 30.3492(3) Å, V = 5313.11(7) Å3, and Z = 3. In the structure of sergevanite, Ca and Mn are ordered in the six-membered ring of octahedra (at the sites M11 and M12), and Na dominates over Fe2+ at the M2 site. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 7.12 (70) (110), 5.711 (43) (202), 4.321 (72) (205), 3.806 (39) (033), 3.551 (39) (220, 027), 3.398 (39) (313), 2.978 (95) (), 2.855 (100) (404). Sergevanite is named after the Sergevan' River, which is near the discovery locality.

scholarly journals Crystallochemical aspects of two microlite-group new mineral species

2014 ◽  
Vol 70 (a1) ◽  
pp. C1095-C1095
Author(s):  
Marcelo Andrade ◽  
Javier Ellena ◽  
Daniel Atencio
Keyword(s):  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
New Mineral Species ◽  
Group 1

Fluorcalciomicrolite, Ca1.5Ta2O6F, and hydroxycalciomicrolite, Ca1.5Ta2O6(OH), are new microlite-group [1] minerals found in the Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil. Both occur as octahedral and rhombododecahedral crystals. The crystals are colourless, yellow and translucent, with vitreous to resinous luster. The densities calculated for fluorcalciomicrolite [2] and hydroxycalciomicrolite are 6.160 and 6.176 g/cm3, respectively. The empirical formulae obtained from electron microprobe analysis are (Ca1.07Na0.81□0.12)Σ2(Ta1.84Nb0.14Sn0.02)Σ2[O5.93(OH)0.07]Σ6.00[F0.79(OH)0.21] for fluorcalciomicrolite and (Ca1.48Na0.06Mn0.01)Σ1.55(Ta1.88Nb0.11Sn0.01)Σ2O6[(OH)0.76F0.20O0.04] for hydroxycalmicrolite. Fluorcalciomicrolite is cubic, space group Fd-3m, a = 10.4191(6) Å, V = 1131.07(11) Å3, and Z = 8. Hydroxycalciomicrolite is also cubic; however, the presence of P-lattice is confirmed by the large number of weak reflections observed by X-ray diffraction. As a result, the space group is P4332 and unit-cell parameters are a = 10.4211(8) Å, and V = 1131.72(15) Å3.

scholarly journals Na-dominant (at the M2 site) eudialyte analogue: crystal structure and indicatory significance

2020 ◽  
Vol 9 ◽  
pp. 19-25
Author(s):  
R. K. Rastsvetaeva ◽  
◽  
N. V. Chukanov ◽  
Ch. Schäfer ◽  
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Eudialyte Group ◽  
X Ray ◽  
Cell Parameters ◽  
Atomic Displacements ◽  
Alkaline Massif

Minerals of the eudialyte group from ultra-agpaitic associations are often characterized by high contents (up to the dominance) of sodium at the M2 site, which is populated with iron in eudialyte. The features of blocky isomorphism with the replacement of IVFe2+ by IVNa and VNa at the M2 micro-region are discussed. Using the methods of electron probe microanalysis, X-ray diffraction and IR spectroscopy, a potentially new mineral, M2Na-dominant analogue of eudialyte from the Ilimaussaq alkaline massif (Greenland), was investigated. Its crystal structure was refined to R = 5.6 % in the anisotropic approximation of atomic displacements using 1095 independent reflections with F > 3(F). The unit-cell parameters are: a = 14.208(1), c = 30.438(1) Å, V = 5321(1) Å3; the space group is R-3m. The idealized formula of the mineral is (Z = 3): (Na,H3O)15Ca6Zr3[Na2Fe][Si26O72](OH)2Cl∙2H2O.

Arrheniusite-(Ce), CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11, a New Member of the Vicanite Group, from the Östanmossa Mine, Norberg, Sweden

2021 ◽  
Author(s):  
Dan Holtstam ◽  
Luca Bindi ◽  
Paola Bonazzi ◽  
Hans-Jürgen Förster ◽  
Ulf B. Andersson
Keyword(s):  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Epma Data ◽  
X Ray ◽  
Cell Parameters ◽  
Greenish Yellow ◽  
The Ideal

ABSTRACT Arrheniusite-(Ce) is a new mineral (IMA 2019-086) from the Östanmossa mine, one of the Bastnäs-type deposits in the Bergslagen ore region, Sweden. It occurs in a metasomatic F-rich skarn, associated with dolomite, tremolite, talc, magnetite, calcite, pyrite, dollaseite-(Ce), parisite-(Ce), bastnäsite-(Ce), fluorbritholite-(Ce), and gadolinite-(Nd). Arrheniusite-(Ce) forms anhedral, greenish-yellow translucent grains, exceptionally up to 0.8 mm in diameter. It is optically uniaxial (–), with ω = 1.750(5), ε = 1.725(5), and non-pleochroic in thin section. The calculated density is 4.78(1) g/cm3. Arrheniusite-(Ce) is trigonal, space group R3m, with unit-cell parameters a = 10.8082(3) Å, c = 27.5196(9) Å, and V = 2784.07(14) Å3 for Z = 3. The crystal structure was refined from X-ray diffraction data to R1 = 3.85% for 2286 observed reflections [Fo > 4σ(Fo)]. The empirical formula for the fragment used for the structural study, based on EPMA data and results from the structure refinement, is: (Ca0.65As3+0.35)Σ1(Mg0.57Fe2+0.30As5+0.10Al0.03)Σ1[(Ce2.24Nd2.13La0.86Gd0.74Sm0.71Pr0.37)Σ7.05(Y2.76Dy0.26Er0.11Tb0.08Tm0.01Ho0.04Yb0.01)Σ3.27Ca4.14]Σ14.46(SiO4)3[(Si3.26B2.74)Σ6O17.31F0.69][(As5+0.65Si0.22P0.13)Σ1O4](B0.77O3)F11; the ideal formula obtained is CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11. Arrheniusite-(Ce) belongs to the vicanite group of minerals and is distinct from other isostructural members mainly by having a Mg-dominant, octahedrally coordinated site (M6); it can be considered a Mg-As analog to hundholmenite-(Y). The threefold coordinated T5 site is partly occupied by B, like in laptevite-(Ce) and vicanite-(Ce). The mineral name honors C.A. Arrhenius (1757–1824), a Swedish officer and chemist, who first discovered gadolinite-(Y) from the famous Ytterby pegmatite quarry.

scholarly journals Crystallization and X-ray diffraction analysis of native and selenomethionine-substituted PhyH-DI fromBacillussp. HJB17

2017 ◽  
Vol 73 (11) ◽  
pp. 607-611
Author(s):  
Fang Lu ◽  
Bei Zhang ◽  
Yong Liu ◽  
Ying Song ◽  
Gangxing Guo ◽  
...  
Keyword(s):  
Unit Cell ◽  
Diffusion Method ◽  
Data Sets ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Solvent Content ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Phytases are phosphatases that hydrolyze phytates to less phosphorylatedmyo-inositol derivatives and inorganic phosphate. β-Propeller phytases, which are very diverse phytases with improved thermostability that are active at neutral and alkaline pH and have absolute substrate specificity, are ideal substitutes for other commercial phytases. PhyH-DI, a β-propeller phytase fromBacillussp. HJB17, was found to act synergistically with other single-domain phytases and can increase their efficiency in the hydrolysis of phytate. Crystals of native and selenomethionine-substituted PhyH-DI were obtained using the vapour-diffusion method in a condition consisting of 0.2 Msodium chloride, 0.1 MTris pH 8.5, 25%(w/v) PEG 3350 at 289 K. X-ray diffraction data were collected to 3.00 and 2.70 Å resolution, respectively, at 100 K. Native PhyH-DI crystals belonged to space groupC121, with unit-cell parametersa = 156.84,b = 45.54,c = 97.64 Å, α = 90.00, β = 125.86, γ = 90.00°. The asymmetric unit contained two molecules of PhyH-DI, with a corresponding Matthews coefficient of 2.17 Å3 Da−1and a solvent content of 43.26%. Crystals of selenomethionine-substituted PhyH-DI belonged to space groupC2221, with unit-cell parametersa = 94.71,b= 97.03,c= 69.16 Å, α = β = γ = 90.00°. The asymmetric unit contained one molecule of the protein, with a corresponding Matthews coefficient of 2.44 Å3 Da−1and a solvent content of 49.64%. Initial phases for PhyH-DI were obtained from SeMet SAD data sets. These data will be useful for further studies of the structure–function relationship of PhyH-DI.

Kummerite, Mn2+Fe3+Al(PO4)2(OH)2·8H2O, a new laueite-group mineral from the Hagendorf Süd pegmatite, Bavaria, with ordering of Al and Fe3+

2016 ◽  
Vol 80 (7) ◽  
pp. 1243-1254 ◽  
Author(s):  
I. E. Grey ◽  
E. Keck ◽  
W. G. Mumme ◽  
A. Pring ◽  
C. M. Macrae ◽  
...  
Keyword(s):  
Electron Microprobe ◽  
Empirical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Group Mineral ◽  
X Ray ◽  
Cell Parameters ◽  
Octahedral Sites ◽  
Phosphate Mineral

AbstractKummerite, ideally Mn2+Fe3+A1(PO4)2(OH)2.8H2O, is a new secondary phosphate mineral belonging to the laueite group, from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Kummerite occurs as sprays or rounded aggregates of very thin, typically deformed, amber yellow laths. Cleavage is good parallel to ﹛010﹜. The mineral is associated closely with green Zn- and Al-bearing beraunite needles. Other associated minerals are jahnsite-(CaMnMn) and Al-bearing frondelite. The calculated density of kummerite is 2.34 g cm 3. It is optically biaxial (-), α= 1.565(5), β = 1.600(5) and y = 1.630(5), with weak dispersion. Pleochroism is weak, with amber yellow tones. Electron microprobe analyses (average of 13 grains) with H2O and FeO/Fe2O3 calculated on structural grounds and normalized to 100%, gave Fe2O3 17.2, FeO 4.8, MnO 5.4, MgO 2.2, ZnO 0.5, Al2O3 9.8, P2O5 27.6, H2O 32.5, total 100 wt.%. The empirical formula, based on 3 metal apfu is (Mn2+0.37Mg0.27Zn0.03Fe2+0.33)Σ1.00(Fe3+1.06Al0. 94)Σ2.00PO4)1.91(OH)2.27(H2O)7.73. Kummerite is triclinic, P1̄, with the unit-cell parameters of a = 5.316(1) Å, b =10.620(3) Å , c = 7.118(1) Å, α = 107.33(3)°, β= 111.22(3)°, γ = 72.22(2)° and V= 348.4(2) Å3. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(I) (hkl)] 9.885 (100) (010); 6.476 (20) (001); 4.942 (30) (020); 3.988 (9) (̄110); 3.116 (18) (1̄20); 2.873 (11) (1̄21). Kummerite is isostructural with laueite, but differs in having Al and Fe3+ ordered into alternate octahedral sites in the 7.1 Å trans-connected octahedral chains.

X-ray diffraction patterns for BaR2PdO5 (R=Nd, Sm, Eu, and Gd)

1996 ◽  
Vol 11 (1) ◽  
pp. 9-12
Author(s):  
W. Wong-Ng
Keyword(s):  
Materials Characterization ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
The Eu

Calculated patterns for the BaR2PdO5 series, in which X is Pd and R=Nd, Sm, Eu, or Gd, have been prepared for materials characterization until experimental patterns can be determined. These compounds are isostructural to the superconductor related “brown phases” BaLa2CuO5 and BaNd2CuO5, which are tetragonal with space group P4/mbm, Z=4. The cell parameters of the Eu and Gd compounds were derived from the La and Nd analogs. The calculated patterns of these four compounds compared well to an experimental pattern of BaNd2CuO5.

The solid solution TbNiIn1−x Ga x

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Myroslava Horiacha ◽  
Galyna Nychyporuk ◽  
Rainer Pöttgen ◽  
Vasyl Zaremba
Keyword(s):  
Solid Solution ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Structure Space ◽  
Arc Melting

Abstract Phase formation in the solid solution TbNiIn1−x Ga x at 873 K was investigated in the full concentration range by means of powder X-ray diffraction and EDX analysis. The samples were synthesized by arc-melting of the pure metals with subsequent annealing at 873 K for one month. The influence of the substitution of indium by gallium on the type of structure and solubility was studied. The solubility ranges have been determined and changes of the unit cell parameters were calculated on the basis of powder X-ray diffraction data: TbNiIn1–0.4Ga0–0.6 (ZrNiAl-type structure, space group P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74461(8)–0.72711(17) and c = 0.37976(5)–0.37469(8) nm); TbNiIn0.2–0Ga0.8–1.0 (TiNiSi-type structure, space group Pnma, а = 0.68950(11)–0.68830(12), b = 0.43053(9)–0.42974(6), с = 0.74186(10)–0.73486(13) nm). The crystal structures of TbNiGa (TiNiSi type, Pnma, a = 0.69140(5), b = 0.43047(7), c = 0.73553(8) nm, wR2=0.0414, 525 F 2 values, 21 variables), TbNiIn0.83(1)Ga0.17(1) (ZrNiAl type, P 6 ‾ 2 m $P‾{6}2m$ , a = 0.74043(6), c = 0.37789(3) nm, wR2 = 0.0293, 322 F 2 values, 16 variables) and TbNiIn0.12(2)Ga0.88(2) (TiNiSi type, Pnma, a = 0.69124(6), b = 0.43134(9), c = 0.74232(11) nm, wR2 = 0.0495, 516 F 2 values, 21 variables) have been determined. The characteristics of the solid solutions and the variations of the unit cell parameters are briefly discussed.

Crystal Structures and Stability of Two Bipyridyl Complexes of Metal Chloroacetates

2007 ◽  
Vol 62 (10) ◽  
pp. 1271-1276 ◽  
Author(s):  
Liang Chen ◽  
Xian-Wen Wanga ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu
Keyword(s):  
Binuclear Complexes ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Reaction Conditions ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Dimensional Network

The complexes Mn(Cl3CCOO)2(4,4′-bpy) (1) and [Cu2(ClCH2COO)(2,2′-bpy)2(OH)(H2O)]-(NO3)2(2) (bpy = bipyridine) were generated under mild reaction conditions and characterized by IR spectra, thermogravimetric analysis (TGA), X-ray powder diffraction (XRD), and single crystal X-ray diffraction. Compound 1 exhibits a two-dimensional network with octahedrally coordinated Mn(II) atoms linked by 4,4′-bpy ligands and Cl3COO− ligands. Compound 2 features a supramolecular structure of binuclear complexes, with edge-sharing five-coordinated square-pyramidal units bridged by the ClCH2COO− ligand, an OH− group and a water molecule. Complex 1 crystallizes in the orthorhombic space group Pbcn with cell parameters: a = 16.5390(17), b = 11.6396(17), c = 9.9181(12) Å, V = 1909.3(4) Å3, Z = 4, wR2 = 0.1576. Complex 2 crystallizes in the triclinic space group P1̅ with cell parameters: a = 7.6190(15), b = 11.151(2), c = 16.640(3) Å , α = 73.13(3), β = 80.89(3), γ = 74.51(3)°, V = 1298.73(4) Å3, Z = 2, wR2 = 0.1265.

scholarly journals Crystal Chemistry and High-Temperature Behaviour of Ammonium Phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O from the Burned Dumps of the Chelyabinsk Coal Basin

Minerals ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 486 ◽  
Author(s):  
Andrey A. Zolotarev ◽  
Elena S. Zhitova ◽  
Maria G. Krzhizhanovskaya ◽  
Mikhail A. Rassomakhin ◽  
Vladimir V. Shilovskikh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Coal Basin ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Mineral Phases

The technogenic mineral phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O from the burned dumps of the Chelyabinsk coal basin have been investigated by single-crystal X-ray diffraction, scanning electron microscopy and high-temperature powder X-ray diffraction. The NH4MgCl3·6H2O phase is monoclinic, space group C2/c, unit cell parameters a = 9.3091(9), b = 9.5353(7), c = 13.2941(12) Å, β = 90.089(8)° and V = 1180.05(18) Å3. The crystal structure of NH4MgCl3·6H2O was refined to R1 = 0.078 (wR2 = 0.185) on the basis of 1678 unique reflections. The (NH4)2Fe3+Cl5·H2O phase is orthorhombic, space group Pnma, unit cell parameters a = 13.725(2), b = 9.9365(16), c = 7.0370(11) Å and V = 959.7(3) Å3. The crystal structure of (NH4)2Fe3+Cl5·H2O was refined to R1 = 0.023 (wR2 = 0.066) on the basis of 2256 unique reflections. NH4MgCl3·6H2O is stable up to 90 °C and then transforms to the less hydrated phase isotypic to β-Rb(MnCl3)(H2O)2 (i.e., NH4MgCl3·2H2O), the latter phase being stable up to 150 °C. (NH4)2Fe3+Cl5·H2O is stable up to 120 °C and then transforms to an X-ray amorphous phase. Hydrogen bonds provide an important linkage between the main structural units and play the key role in determining structural stability and physical properties of the studied phases. The mineral phases NH4MgCl3·6H2O and (NH4)2Fe3+Cl5·H2O are isostructural with natural minerals novograblenovite and kremersite, respectively.

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