Volume 36, Number 1, 3-12, DOI: 10.1007/BF01164365

Crystal structure and chemical formula of schmiederite ,Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite, PbCu(OH)2(SO4)

H. Effenberger

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Abstract

Based on a X-ray structure analysis it was proved that the mineral schmiederite contains both selenite and selenate groups [a = 9.922(3)Å,b = 5.712(2)Å,c = 9.396(3)Å, beta = 101.96(3)°, space group P21/m,Z = 2 {Pb2Cu2(OH)4(SeO3)(SeO4)},R w = 0.055 for 1131 reflections up to sin theta/lambda = 0.65 Å–1]. The crystal structure is closely related to that of linarite [a = 9.701(2) Å,b = 5.650(2) Å,c= 4.690(2)Å, beta = 102.65(2)°, space group P21/m,Z = 2 {PbCu(OH)2(SO4)},R w = 0.034 for 1991 reflections up to sin theta/lambda = 1.0 Å–1].
The Pb atom in linarite and the Pb(1) atom in schmiederite have each three Pb-O bonds < 2.45="" å="" with="" trigonal="" pyramidal="" arranged="" ligands;="" the="" pb(2)="" atom="" in="" schmiederite="" has="" only="" one="" such="" near="" o="" atom.="" the="" cu="" atoms="" are="" approximately="" square="" planar="" coordinated="" by="" hydroxil="" groups.="" in="" addition="" two="" further="" o="" atoms="" complete="" the="" coordination="" figure="" to="" a="" strongly="" distorted="" octahedron.="" all="" the="" anion="" groups="" have="" the="" usual="">
Basierend auf einer Röntgen-Strukturuntersuchung konnte das Vorliegen von Selenit-und Selenatgruppen im Mineral Schmiederit belegt werden [a=9,922(3) Å,b = 5,712(2) Å,c = 9,396(3) Å, beta = 101,96(3)°, Raumgruppe P21/m,Z=2 {Pb2Cu2(OH)4(SeO3)(SeO4)},R w = 0,055 für 1131 Reflexe bis sin theta/lambda, = 0,65 Å–1]. Die Kristallstruktur weist enge Beziehungen zu jener des Linarits auf [a = 9,701(2) Å,b = 5,650(2) Å,c = 4,690(2) Å, beta = 102,65(2)°, Raumgruppe P21/m,Z=2 {PbCu(OH)2(SO4)},R w = 0,034 für 1991 Reflexe bis sin theta/lambda = 1,0 Å–1].
Das Pb-Atom im Linarit sowie das Pb(1)-Atom im Schmiederit haben jeweils drei Pb-O-Bindungen <,45 å,="" wobei="" die="" liganden="" trigonal="" pyramidal="" angeordnet="" sind;="" das="" pb(2)-atom="" im="" schmiederit="" hat="" hingegen="" nur="" ein="" derart="" nahes="" o-atom.="" die="" cu-atome="" sind="" etwa="" quatratisch="" planar="" von="" hydroxilgruppen="" koordiniert;="" zwei="" weitere="" o-atome="" ergänzen="" die="" koordinationsfigur="" zur="" einem="" stark="" verzerrten="" oktaeder.="" die="" aniongruppen="" haben="" die="" üblichen="">

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