The crystal structure of perloffite

2011 ◽  
Vol 75 (2) ◽  
pp. 317-325
Author(s):  
P. Elliott ◽  
A. C. Willis
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Electron Microprobe ◽  
South Australia ◽  
Monoclinic Space Group ◽  
Intensity Data ◽  
Space Group ◽  
X Ray ◽  
Unit Formula

AbstractThe structure of perloffite, ideally BaMn22+Fe23+(PO4)3(OH)3, has been solved and refined from single-crystal X-ray data collected on a Sr-bearing sample from the Spring Creek copper mine, near Wilmington, South Australia. A fragment of the crystal used for the collection of the X-ray intensity data was analysed by electron microprobe. The resulting unit formula is (Ba1.00,Sr0.03Σ1.03) (Mn2+1.15,Fe2+0.76Ca0.05Mg0.02,Na0.01)Σ1.99(Fe3+1.94,Al0.06)Σ2.00(PO4)2.99(OH)3.04. The structure is monoclinic. space group P21/m, a = 9.2425(18), b = 12.470(3), c = 5.002(1) Å, 0 = 100.19(3)°, V = 567.41(19) Å3, Z = 2, and was refined to R1 = 4.71% for 1568 unique observed reflections. The X site is [11]-coordinated and is occupied by dominant Ba and minor Sr, with an <X—O< distance of 2.953 Å. The Ml site is octahedrally coordinated and is occupied by Mn2+and Fe2+ plus minor Ca, Mg and Na with an observed <M1—O> distance of 2.208 Å. The M2 site is also octahedrally coordinated and is occupied by Fe3+ plus minor Al with a <M2—O> distance of 2.018 A. Perloffite is isostructural with other members of the bjarebyite group. Edge-linked [M22O6(OH)4] dimers link via corners to form chains along [010]. Chains are decorated with PO4 tetrahedra and link in the a direction via [M1O5(OH)] octahedra and (Ba,Sr) atoms to form a complex framework. The H2 atom hydrogen-bonds strongly to the O3 anion, providing additional linkage between chains.

scholarly journals Preparation and Crystal Structure of Zinc Bis[orotate(1–)] Octahydrate

1993 ◽  
Vol 48 (7) ◽  
pp. 961-964 ◽  
Author(s):  
Otto Kumberger ◽  
Jürgen Riede ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Medical Treatment ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Structure Analysis ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

A discrete zinc bis[orotate(1—)] complex of the composition Zn(OrH)2·8 H2O has been isolated and characterized by a single-crystal X-ray structure analysis. The crystals are monoclinic, space group P21/c (No. 14), Z = 2, a = 10.884(2), b = 12.896(1), c = 6.954(1) Å, β = 98.27(1)°. The crystal lattice features hexaquo complexes of zinc, the Zn(H2O)62+ cations being associated with two hydrated OrH- ions only through hydrogen bonds. The results are relevant for applications of zinc orotates in medical treatment.

Notizen: Darstellung und Kristallstruktur von [H3N(CH2)3NH3]SbCl5 / Preparation and Crystal Structure of [H3N(CH2)3NH3]SbCl5

1989 ◽  
Vol 44 (9) ◽  
pp. 1151-1154 ◽  
Author(s):  
André du Bois ◽  
Walter Abriel
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
Intensity Data ◽  
Space Group ◽  
X Ray ◽  
Cl Atoms

Using 293 K diffractometer intensity data, the structure of [H3N(CH2)3NH3]SbCl5 has been determined by single crystal X-ray technique and refined to a final Rw of 0.026. The colorless crystals are monoclinic (space group P21/c) with a = 10.1338(5), b = 11.4623(7), c = 11.3668(6) Å, β = 113.52(5)° and Ζ = 4. The structure contains ψ-octahedral SbCl52- anions. A center of symmetry connects two anions forming a (Sb2Cl10)4- unit with rather long Sb—Cl distances for the bridging Cl-atoms (2.92 and 3.68 A, respectively).

Die Kristallstruktur von [Na(H2O)3]2TeBr6, ein Hydrat mit Ketten aus flächenkondensierten Na(H2O)6-Oktaedern / The Crystal Structure of [Na(H2O)3]2TeBr6, a Hydrate with Chains of Face-Sharing Na(H2O)6 Octahedra

1983 ◽  
Vol 38 (12) ◽  
pp. 1543-1547 ◽  
Author(s):  
Walter Abriel
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
Intensity Data ◽  
Space Group ◽  
X Ray

Using 293 K diffractometer intensity data the structure of [Na(H2O)3]2TeBr6 has been determined by single crystal X-ray technique and refined to a final Rw of 0.048. The crystals are monoclinic (space group C2/m) with a = 13.039(4) Å, b = 10.899(8) Å, c = 6.838(3) Å, β = 115.89(2)° and Z = 2. The structure contains infinite chains parallel [001] built up by face-sharing Na(H2O)6-octahedra. Isolated TeBr62- octahedra between these chains represent the anion part of the structure, which can be regarded as a packing of layers based on a 33.42.-net consisting of oxygen and bromine atoms

mer-Triammine trifluorido vanadium(III), mer-[VF3(NH3)3]: synthesis and crystal structure

2015 ◽  
Vol 70 (3) ◽  
pp. 161-164 ◽  
Author(s):  
Patrick Woidy ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Liquid Ammonia ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

AbstractVanandium trifluoride reacts with dry liquid ammonia under the formation of lilac plate-shaped crystals of mer-triammine trifluorido vanadium(III) (1), mer-[VF3(NH3)3]. Single-crystal X-ray analysis was carried out at low temperature to elucidate the structure. The compound crystallizes in the monoclinic space group P21/c with a = 5.7284(4), b = 9.2033(5), c = 10.5271(6) Å, β = 91.795(6)°, and V = 554.72(6) Å3 at 123 K with Z = 4. The discrete [VF3(NH3)3] molecules are interconnected by hydrogen bonds.

Crystal Structure and Vibrational Behaviour of Aqua Di(saccharinato)di(nicotinamide)copper(II)

2002 ◽  
Vol 57 (1) ◽  
pp. 43-46 ◽  
Author(s):  
Beatriz S. Parajón-Costaa ◽  
Enrique J. Baran ◽  
Oscar E. Piro ◽  
Eduardo E Castellano
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ir Spectrum ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of [Cu(sac)2(nic)2(H2O)] (sac = saccharinate anion; nic = nicotinamide) has been determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c with Z = 4 and the Cu(II) ion presents a CuN4O square pyramidal coordination. Some comparisons with related structures are made and the most important features of its IR spectrum were also discussed.

scholarly journals Serendipitous formation and characterization of K2[Pd(NO3)4]·2HNO3

2019 ◽  
Vol 74 (4) ◽  
pp. 381-387
Author(s):  
Michael Zoller ◽  
Jörn Bruns ◽  
Gunter Heymann ◽  
Klaus Wurst ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
Solvothermal Process ◽  
X Ray Diffraction ◽  
Glass Ampoule ◽  
Space Group ◽  
X Ray ◽  
Complex Anions

AbstractA potassium tetranitratopalladate(II) with the composition K2[Pd(NO3)4] · 2HNO3 was synthesized by a simple solvothermal process in a glass ampoule. The new compound crystallizes in the monoclinic space group P21/c (no. 14) with the lattice parameters a = 1017.15(4), b = 892.94(3), c = 880.55(3) Å, and β = 98.13(1)° (Z = 2). The crystal structure of K2[Pd(NO3)4] · 2HNO3 reveals isolated complex [Pd(NO3)4]2− anions, which are surrounded by eight potassium cations and four HNO3 molecules. The complex anions and the cations are associated in layers which are separated by HNO3 molecules. K2[Pd(NO3)4] · 2HNO3 can thus be regarded as a HNO3 intercalation variant of β-K2[Pd(NO3)4]. The characterization is based on single-crystal X-ray and powder X-ray diffraction.

Notizen: Solid State Structure of N,N-Dibenzylhydroxylamine

1995 ◽  
Vol 50 (4) ◽  
pp. 699-701 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Jürgen Riede ◽  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of N,N-dibenzylhydroxylamine (1) has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/n with four formula units in the unit cell. N,N-dibenzylhydroxylamine dimerizes to give N2O2H2 sixmembered rings as a result of the formation of two hydrogen bonds O - H ··· N in the solid state.

The crystal structure of Bis[2-(pyridin-2-ylamino)-4-(pyridin-2-yl)thiazole]iron(II) Bis(tetrafluoroborate) trihydrate

1984 ◽  
Vol 37 (2) ◽  
pp. 443 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin ◽  
AD Rae
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Complex Cation ◽  
Monoclinic Space Group ◽  
Octahedral Structure ◽  
Space Group ◽  
X Ray ◽  
Disordered Structure ◽  
Distorted Octahedral ◽  
A Cell

The crystal structure of an iron(II) complex of 2-(pyridin-2-ylamino)-4-(pyridin-2-yl)tliazoe (paptH) has been determined by single-crystal X-ray diffractometry. [Fe(paptH)2] [BF4]2.3H2O is monoclinic, space group P21/c, with Z = 4 in a cell of dimensions a 8.968(6), b 9.038(4), c 41.15(2)�, β 94.81(2)�. The disordered structure was refined to a residual R 0.0826 for 2549 observed reflections. The ligands and anions are orientationally disordered, and the waters of crystallization are positionally disordered. Comprehensive constrained refinement, with 220 parameters for 139 atom positions, produced reliable geometry. The complex cation has a distorted octahedral structure of meridional configuration with both paptH ligands functioning as tridentates.

Synthese neuer optisch aktiver Rh-Komplexe: Die Kristallstruktur von [(5S)-3,4-Bis(diphenylphosphino)-5-menthoxy-2(5H)-furanon](1,5-cyclooctadien)rhodium-hexafluorophosphat / Synthesis of New Optically Active Rh-Complexes: The Crystal Structure of [(5S)-3,4-Bis(diphenylphosphino)-5-menthoxy-2(5 H)-furanone](1,5-cyclooctadiene)rhodium-hexafluorophosphate

1989 ◽  
Vol 44 (8) ◽  
pp. 884-888 ◽  
Author(s):  
Dieter Fenske ◽  
Kurt Merzweiler
Keyword(s):  
Crystal Structure ◽  
Methyl Ester ◽  
Single Crystal ◽  
Enantiomeric Excess ◽  
Optically Active ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

The chiral diphosphine 1 reacts with [(diolefin)Rh(THF)2]PF6 (diolefine: 1.5-cyclooctadiene, norbornadiene) to form the complexes 4 and 5. The structure of 4 was determined by single crystal X-ray analysis. 4 crystallizes in the monoclinic space group P21. The lattice constants (at 180 K) are: a = 974.0(6); b = 3889.2(29); c = 1309.4(5) pm; β = 105.25(4)°. The hydrogenation of methyl-α-acetamidocinnamate in the presence of 5 yields (R)-N-acetylphenylalanine methyl ester with 33% enantiomeric excess.

Crystal structure of zerumbone [(E,E,E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one]

1981 ◽  
Vol 34 (10) ◽  
pp. 2243 ◽  
Author(s):  
SR Hall ◽  
S Nimgirawath ◽  
CL Raston ◽  
A Sittatrakul ◽  
S Thadaniti ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Zingiber Zerumbet ◽  
Space Group ◽  
X Ray ◽  
Considerable Distortion

The crystal structure of zerumbone, C15H22O, extracted from the rhizomes of Zingiber zerumbet Smith, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.051 for 925 'observed' reflections. Crystals are monoclinic, space group P21/c, a 9.036(3), b 9.712(5), c 15.643(6) �, β 97.19(3)�, Z = 4. Although the molecule has no chiral centre, the presence of the three trans double bonds confers considerable distortion and rigidity on the eleven-membered ring and renders the whole molecule chiral and potentially resolvable.

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