# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-06T12:21:43+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Zeitschrift fur Kristallographie') AND volume = 181 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000227","7.5635","0.0002","10.901","0.001","6.7319","0.0002","90","","90","","90","","555","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Manganese iron pentafluoride bis(hydrate)","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G","Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1987","181","","1","10","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"8103973","10.2917","","6.0234","","4.9059","","90","","90.52","","90","","304.109","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","U I4","","- I4 U -","- I4 U -","- I16 U4 -","4","0.5","","Taylor, J.C.","A comparison of profile decomposition and Rietveld methods for structurtal refinement with powder diffraction data.","Zeitschrift fuer Kristallographie (149,1979-)","1987","181","","151","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008386","27.585","","12.561","","6.027","","90","","90","","90","","2088.33","","","","","","","","","","","","Langban mine, Sweden","4","P n n m","-P 2 2n","58","","","Takeuchiite","- B12 Mg20.58 Mn15.42 O60 -","- B12 Mg20.58 Mn15.42 O60 -","- B24 Mg41.16 Mn30.84 O120 -","2","0.25","","Norrestam, R.; Bovin, J.-O.","The crystal structure of takeuchiite, Mg1.71Mn1.29BO5: A combined single crystal X-ray and HRTEM study","Zeitschrift fur Kristallographie","1987","181","","135","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""