Crystal structure refinement of pseudojohannite, Cu3(OH)2 [(UO2)4O4 (SO4)2](H2O)12, from the type locality - Jachymov, Czech Republic

被引:5
作者
Plasil, Jakub [1 ]
机构
[1] Acad Sci Czech Republ, Inst Phys, Vvi, Prague 18221 8, Czech Republic
关键词
pseudojohannite; uranyl sulphate; zippetite group; crystal structure; Jachymov; STRUCTURE VALIDATION; ZIPPEITE; MINERALS; MEMBER;
D O I
10.3190/jgeosci.190
中图分类号
P3 [地球物理学]; P59 [地球化学];
学科分类号
0708 ; 070902 ;
摘要
The crystal structure of pseudojohannite from the type locality, Jachymov (Western Bohemia, Czech Republic), was solved by charge-flipping method from single-crystal X-ray diffraction data and refined to an R = 0.0385 against 2072 unique observed reflections. Pseudojohannite from Jachymov is triclinic, P (1) over bar, with a = 8.6653(4), b = 8.8499(5) angstrom, c = 9.9908(6), alpha = 72.103(6), beta = 70.512(5)degrees, gamma = 76.070(5)degrees, V = 679.12(7) angstrom(3) and Z = 1. The structural formula derived from the refinement and bond-valence considerations is Cu-3(OH)(2) [(UO2)(4)O-4 (SO4)(2)](H2O)(12), confirming previous structure determination on the material from Widowmaker mine, Utah, USA. Contrary to other members of the zippeite-group, the interstitial metal sites in pseudojohannite (populated by Cu2+), are fully occupied and the structure tends to be fully ordered with no important departure from the ideal stoichiometry.
引用
收藏
页码:123 / 127
页数:5
相关论文
共 27 条
[1]  
AGILENT TECHNOLOGIES, 2014, CRYSALIS RED CCD DAT
[2]  
[Anonymous], 2003, J CZECH GEOL SOC
[3]   EXTINCTION WITHIN LIMIT OF VALIDITY OF DARWIN TRANSFER EQUATIONS .1. GENERAL FORMALISMS FOR PRIMARY AND SECONDARY EXTINCTION AND THEIR APPLICATION TO SPHERICAL CRYSTALS [J].
BECKER, PJ ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAR) :129-147
[4]   Concerning inorganic crystal structure types [J].
Bergerhoff, G ;
Berndt, M ;
Brandenburg, K ;
Degen, T .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1999, 55 :147-156
[5]   Pseudojohannite from Jachymov, Musonoi, and La Creusaz: A new member of the zippeite-group [J].
Brugger, J ;
Wallwork, KS ;
Meisser, N ;
Pring, A ;
Ondrus, P ;
Cejka, J .
AMERICAN MINERALOGIST, 2006, 91 (5-6) :929-936
[6]   Contribution to the mineralogy of acid drainage of uranium minerals: Marecottite and the zippeite-group [J].
Brugger, J ;
Burns, PC ;
Meisser, N .
AMERICAN MINERALOGIST, 2003, 88 (04) :676-685
[7]   U6+ minerals and inorganic compounds:: Insights into an expanded structural hierarchy of crystal structures [J].
Burns, PC .
CANADIAN MINERALOGIST, 2005, 43 :1839-1894
[8]   The crystal chemistry of the zippeite group [J].
Burns, PC ;
Deely, KM ;
Hayden, LA .
CANADIAN MINERALOGIST, 2003, 41 :687-706
[9]   Maximal symmetry transition paths for reconstructive phase transitions [J].
Capillas, C. ;
Perez-Mato, J. M. ;
Aroyo, M. I. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (27)
[10]   THE ANALYTICAL CALCULATION OF ABSORPTION IN MULTIFACETED CRYSTALS [J].
CLARK, RC ;
REID, JS .
ACTA CRYSTALLOGRAPHICA SECTION A, 1995, 51 :887-897