# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:27:12+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F 1 d 1' 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
"2003123","18.489","0.002","18.959","0.002","6.519","0.001","90","","90.611","0.013","90","","2284.8","0.5","293","2","","","","","","","","","","5","F 1 d 1","","","","","","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al16 Ca8 H48 O104 Si24 -","8","","","Kuntzinger, Sandrine; Ghermani, Nour Eddine; Dusausoy, Yves; Lecomte, Claude","Distribution and Topology of the Electron Density in an Aluminosilicate Compound From High Resolution X-Ray Diffraction Data : The Case of Scolecite","Acta Crystallographica, Section B","1998","54","","819","833","","","","0.5609","AgKα","","","0.0265","","","","0.0237","","","","","","0.85","","","","has coordinates","277835","2022-09-14","16:54:50",""
"2106703","6.895","","11.9536","","34.518","","90","","90","","90","","2844.98","","","","","","","","","","","","","2","F 1 d 1","C -2yc (x+1/2*z,y,1/2*z)","9","","","","- Fe11 S12 -","- Fe11 S12 -","- Fe88 S96 -","8","","","Koto, K.; Morimoto, N.; Gyobu, A.","The superstructure of the intermediate pyrrhotite. I. Partially disordered distribution of metal vacancy in the 6C type, Fe~11~S~12~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","12","2759","2764","10.1107/s0567740875008849","","","","","","","","","","","","","","","","","","","","","has coordinates","278039","2022-09-21","12:15:31",""
"9005686","18.971","","19.204","","6.5952","","90","","91.601","","90","","2401.82","","","","","","","","","","","","","6","F 1 d 1","","","","","Paranatrolite","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al18 H48.32 K1.832 Na15.6 O104.168 Si22 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Belitsky, I. A.","The crystal structure of paranatrolite","European Journal of Mineralogy","2004","16","","545","550","10.1127/0935-1221/2004/0016-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005708","18.8971","","19.3142","","6.4833","","90","","91.5835","","90","","2365.39","","","","","","","","1000000","","","","","7","F 1 d 1","","","","","Natrolite (deuterated)","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al16 Ca0.16 D55.92 Mg0.48 Na15.36 O108 Si24 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006443","18.502","","18.974","","6.525","","90","","90.615","","90","","2290.51","","","","","","","","","","","","","5","F 1 d 1","","","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al16 Ca8 H48 O104 Si24 -","8","","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.; Hofmeister, W.","Scolecite, Part I: Refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters","Physics and Chemistry of Minerals","1997","24","","403","410","10.1007/s002690050054","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9013703","6.8973","","11.954","","34.521","","90","","90.003","","90","","2846.27","","","","","","","","","","","","","3","F 1 d 1","","","","","Pyrrhotite","- Fe2.747 Ni0.253 S3 -","- Fe2.74725 Ni0.25275 S3 -","- Fe87.912 Ni8.088 S96 -","32","","","De Villiers, J. P. R.; Liles, D. C.","The crystal-structure and vacancy distribution in 6C pyrrhotite Locality: Mponeng Mine, South Africa Note: coordinate of S7 altered to match reported bond lengths","American Mineralogist","2010","95","","148","152","10.2138/am.2010.3266","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:16",""