# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:55:32+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 'Physics and Chemistry of Minerals') AND volume = 39 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
"9014049","8.827","","12.683","","6.213","","90","","106.95","","90","","665.347","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.97 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014678","9.065","","13.03","","6.375","","90","","106.77","","90","","720.971","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015211","15.856","","15.856","","7.1079","","90","","90","","120","","1547.6","","","","","","","","","","","","pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al21.69 B9 Ca0.18 F1.62 Fe1.26 H10.38 Li3.06 Mg0.18 Mn0.54 Na2.19 O91.38 Si18 -","3","0.166667","","Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.","A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data","Physics and Chemistry of Minerals","2012","39","","577","588","10.1007/s00269-012-0513-0","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015403","8.876","","12.887","","6.272","","90","","106.85","","90","","686.622","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015465","9.003","","12.919","","6.318","","90","","106.87","","90","","703.221","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.14 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015711","9.3272","","13.566","","6.5903","","90","","106.433","","90","","799.826","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015770","15.856","","15.856","","7.1079","","90","","90","","120","","1547.6","","","","","","","","","","","","pegmatite dikes near Sao Jose da Safira, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 -","- Al21.69 B9 Ca0.18 F1.62 Fe1.26 H10.38 Li3.06 Mg0.18 Mn0.54 Na2.19 O91.38 Si18 -","3","0.166667","","Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.","A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data","Physics and Chemistry of Minerals","2012","39","","577","588","10.1007/s00269-012-0513-0","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016095","8.873","","12.789","","6.251","","90","","107","","90","","678.349","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016133","9.164","","13.227","","6.47","","90","","106.56","","90","","751.714","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016458","8.719","","12.634","","6.149","","90","","107.1","","90","","647.405","","","","","","","","","","","","Baia Sprie mine, Romania","2","P 1 21/n 1","-P 2yn","14","","","Realgar","- As S -","- As16 S16 -","- As16 S16 -","","","","Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T","Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 5.40 GPa","Physics and Chemistry of Minerals","2012","39","","399","412","10.1007/s00269-012-0495-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016498","7.2474","","7.6813","","8.6432","","90.835","","99.771","","122.581","","396.295","","","","","","","","","","","","Nakalaq, Ilimaussaq complex, Greenland","5","P -1","-P 1","2","","","Ussingite","- Al H Na2 O9 Si3 -","- Al2 H2 Na4 O18 Si6 -","- Al2 H2 Na4 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K","Physics and Chemistry of Minerals","2012","39","","471","478","10.1007/s00269-012-0501-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017266","15.9615","","15.9615","","27.8568","","90","","90","","120","","6146.24","","","","298","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2 Cs0.717 Li Na0.121 O18 Si6 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","- Al36 Be36 Cs12.912 Li18 Na2.184 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017267","15.95","","15.95","","27.86","","90","","90","","120","","6138.09","","","","2.3","","","","","","","","Sakavalana pegmatite, Ambatovita, Madagascar","7","R -3 c :H","-R 3 2""c","167","","","Pezzottaite","- Al2 Be2.078 Cs0.96 Li0.922 Na0.143 O18 Si6 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","- Al36 Be37.404 Cs17.28 Li16.596 Na2.58 O324 Si108 -","","","","Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E.","A single-crystal neutron and X-ray diffraction of pezzottaite Note: Neutron data, T = 2.3 K","Physics and Chemistry of Minerals","2012","39","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""