The crystal structure of hureaulite, Mn5(HOPO3)2(PO4)2(H2O)4

Menchetti, Silvio; Sabelli, C.

doi:10.1107/s0567740873006977

Cited by 21 publications

(16 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Fisher (1964) first described this mineral as monoclinic (space group C2/c) with a $ 17.59, b $ 9.08, c $ 9.40 Å , and b $ 96.7 (Z ¼ 4), providing the chemical analyses of samples from different localities. The crystal structure of hureaulite was solved and refined independently by Menchetti & Sabelli (1973) and Moore & Araki (1973), confirming the space group and the metrics reported by Fisher (1964). The structure consists of PO 4 and HOPO 3 tetrahedra ( Fig.…”

Section: Special Issue Dedicated To Thomas Armbrustersupporting

confidence: 77%

“…Moore & Araki (1973) did not provide any H positions, and only isotropic displacement parameters of all the other atomic sites were given. Menchetti & Sabelli (1973) provided a partially anisotropic refinement, listing also the potential coordinates of the H sites (in five independent sites), which were fixed but not refined. The structure models of hureaulite of Moore & Araki (1973) and Manchetti & Sabelli (1973) are mutually consistent and agree with the experimental findings of Gerault et al (1987) on the synthetic Mn 5 (HPO 4 ) 2 (PO 4 ) 2 (H 2 O) 4 .…”

Section: Special Issue Dedicated To Thomas Armbrustermentioning

confidence: 99%

See 1 more Smart Citation

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Gatta¹,

Redhammer²,

Vignola³

et al. 2016

ejm

View full text Add to dashboard Cite

The crystal chemistry of hureaulite from the Jocão (Cigana) pegmatite, Conselheiro Pena, Doce Valley, Minas Gerais (Brazil), was investigated by electron microprobe analysis in wavelength-dispersive mode, single-crystal Laue (at 293 K) and monochromatic neutron diffraction (at 2.3 K), and 57 Fe-Mössbauer spectroscopy [ M(1),M(2),M(3) (Mn 2þ 3.61 Fe 2þ 1.21 Ca 0.11 Mg 0.03) P ¼4.96 (P(2) PO 4) 2 (H 1.04 P(1) PO 4) 2 (H 2 O) 3.92 , Z ¼ 4, a ¼ 17.603(6), b ¼ 9.087(2), c ¼ 9.404(4) Å , b ¼ 96.66(4) , and V ¼ 1494.1(9) Å 3 at 293 K, space group C2/c]. The neutron refinements confirm the general structure model previously reported, showing that five independent H sites (with full site occupancy) occur in the hureaulite structure, one of them as member of the unique hydroxyl group (i.e., O(1)-H(1)) and the other four belonging to two independent H 2 O molecules (i.e., H(2)-O(9)-H(3) and H(4)-O(10)-H(5)). The hydroxyl group is the vertex of one of the two independent P-tetrahedra (i.e., HOPO 3), whereas the two H 2 O molecules are the vertices of the (Mn,Fe)-octahedra. No zeolitic H 2 O occurs in hureaulite structure. The complex hydrogen bonding scheme in hureaulite is now well defined, with five hydrogen bonds energetically favorable. The element distribution among the octahedral sites, deduced on the basis of the neutron structure refinements, shows that the highest fraction of Fe populates the M(2) site ($36%), whereas lower fractions are observed at M(1) and M(3) (i.e., $13-15 and $11-12%, respectively). The 57 Fe Mössbauer spectrum of hureaulite confirms the absence of ferric iron in the sample. The spectrum shows four well-separated absorption lines which are best fitted with three doublets. The well-resolved doublet (with the largest quadrupole splitting) is here assigned to the M(3) site, in line with the pronounced preference of Mn 2þ for the M(3) site as shown by the neutron structure refinements. The two innermost doublets have almost identical isomer shifts, though with slightly different quadrupole splitting values; the smaller quadrupole splitting value is assigned to the M(2) site, which is expected to have a slightly lower polyhedral distortion than the M(1) site, according to the experimental findings based on the neutron refinements.

show abstract

Section: Special Issue Dedicated To Thomas Armbrustersupporting

confidence: 77%

Section: Special Issue Dedicated To Thomas Armbrustermentioning

confidence: 99%

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Gatta¹,

Redhammer²,

Vignola³

et al. 2016

ejm

View full text Add to dashboard Cite

show abstract

“…Cette famiUe aurait done comme formulation g6n6rale (Mn,_~Fe~)s(HPO4)2(PO4)2.4H20. La d&ermination structurale sur monocristal de tels compos6,s a 6t6 r6alis6e pour x=0.26 (Moore & Araki, 1973)et x=0.11 (Menchetti & Sabelli, 1973). I1 nous a sembl6 int6ressant de d6terminer la structure de Mns(HPO4) 2-(PO4)2.4H20 qui pourrait alors &re consid6r6 eomme une hureaulite de mangan6se pur.…”

Section: Short-format Papersunclassified

“…Les faibles 6carts observ6s entre nos r6sultats et eeux de Moore & Araki (1973) et Menehetti & Sabelli (1973 confirment le bien fond6 de notre hypoth6se d'isotypie. Le domaine d'existenee des min6raux naturels se situerait pour des valeurs de x comprises entre 0,09 et 0,26 (Menchetti & Sabelli, 1973). Un r6eent travail (Corbin, Whitney, Fultz, Stueky, Eddy & Cheetham, 1986) a permis la mise en 6videnee par voie de synth6se d'un eompos6 du m6me type pour lequel x = 1.…”

unclassified

Phosphate hydrogénophosphate hydrate de manganèse

Gérault¹,

Riou²,

Cudennec³

1987

Acta Crystallogr C

View full text Add to dashboard Cite

1829Representative results of the energy minimization are given in Table 3. As observed, the calculated equilibrium configuration is in good agreement with the experimental structure. Considering the molecular parameters the optimized structure remains very similar to the experimental one, as shown in Table 3: the shifts of the positoinal and orientational molecular parameters are lower than 0.02 A and 2.5 °, respectively, and the torsion angle of the intramolecular relaxed rotation is reproduced within 0.3 ° . The agreement is improved when the electrostatic interaction is considered, in spite of the method used in estimating the residual charges. The expansion of the cell volume (1.4%) is also reduced (0.15%) when the electrostatic term is included in the calculations. SHORT-FORMAT PAPERSContributions intended for publication under this heading should follow the format given in the Checklist for Authors [Acta Cryst. (1985

show abstract

“…The crystal structures of the following phases are known: the dimorphs guerinite (Catti Brought to you by | New York University Bobst Library Technical Service Authenticated Download Date | 7/7/15 7:32 PM and Ferraris, 1974) and ferrarisite (Catti, Chiari and Ferraris, 1980), Ca5(HAs0J2(As04)2 • 9H2O; sainfeidite, Ca5(HAs04)2(As0j2 • 4H2O (Ferraris and Abbona, 1972) and the isostructural hureaulite, Mn5(HP04)2(P0j2 • 4H2O (Moore and Araki, 1973;Menchetti and Sabelli, 1973); chudobaite, (Mg,Zn)5(HAs04)2(As04)2 • 10 H^O (Dorner, 1976;Dorner and Weber, 1976); picropharmacolite, Ca4Mg(HAs04)2(As04)2 • 11 H2O (Catti, Ferraris and Ivaldi, 1981). Other members of the family not yet studied structurally are vladimirite, Ca5(HAs04)2(As04)2 • 5 H2O, irhtemite, Ca4Mg(HAs04)2(As04)2 • 4H2O, and the Compound Ca5(HP04)2(P04)2 • 9H2O.…”

Section: Introductionmentioning

confidence: 99%

Mechanism of the reaction Ca₅H₂(AsO₄)₄ • 9 H₂O (ferrarisite) → Ca₅H₂(AsO₄)₄ 5 H₂O and structure of the latter phase

Catti¹,

Ivaldi²

1981

Zeitschrift Für Kristallographie - Crystalline Materials

View full text Add to dashboard Cite

The new triciinic phase Ca5(HAs04)2(As04)2 • 5 H2O, polymorph of monodinic vladimirite, was obtained by dehydration of Ca5(HAs04)2(As04)2 • 9 HjO (ferrarisite) at 60"C. Unit-cell data are: a = 8.286(4), b = 6.673(3), c = 9.743(4jÄ, a = 86.58(3), ß = 111.10(3), y = 99.74(3)°; Z = 1, space group Pi. The structure was solved by direct methods and least-squares refmed toR -0.088, using 1200 observed counter reflections (Mo^a radiation). One Ca atom and three water molecules are disordered over centrosymmetrically-related positions. Isostructural (001) layers of Ca and As coordination polyhedra are observed in the structures of both nona-and penta-hydrated phases; however, they differ by a relative shift and sandwich ordered and disordered Ca octahedra, respectively, in the two cases. Dehydration of ferrarisite involves the loss of inter-layer water molecules alternatively from either set of centrosymmetrically-related positions, while layers slide and approach one another. The sandwiched Ca atoms are left attached alternatively to either side of facing layers, and replace their broken coordination bonds by new ones on the side of the shifted layer. This random character of the dehydration reaction is the cause of disorder in the penta-hydrated phase. Crystal-chemical properties of the M5(HAs04)2(As04)2 «1120 phases are analyzed.

show abstract

The crystal structure of hureaulite, Mn5(HOPO3)2(PO4)2(H2O)4

Cited by 21 publications

References 1 publication

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Phosphate hydrogénophosphate hydrate de manganèse

Mechanism of the reaction Ca₅H₂(AsO₄)₄ • 9 H₂O (ferrarisite) → Ca₅H₂(AsO₄)₄ 5 H₂O and structure of the latter phase

Contact Info

Product

Resources

About

The crystal structure of hureaulite, Mn5(HOPO3)2(PO4)2(H2O)4

Cited by 21 publications

References 1 publication

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2 (HPO4)2 (H2O)4

Phosphate hydrogénophosphate hydrate de manganèse

Mechanism of the reaction Ca5H2(AsO4)4 • 9 H2O (ferrarisite) → Ca5H2(AsO4)4 5 H2O and structure of the latter phase

Contact Info

Product

Resources

About

Mechanism of the reaction Ca₅H₂(AsO₄)₄ • 9 H₂O (ferrarisite) → Ca₅H₂(AsO₄)₄ 5 H₂O and structure of the latter phase