# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:42:53+01:00
# 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 = 38 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
"1544547","4.71247","0.00004","4.22417","0.00004","2.83203","0.00002","90","","90","","90","","56.3752","0.0008","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","AlOOH delta phase","","delta-AlOOH","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188426","2020-10-21","18:00:00",""
"1544548","4.70456","0.00005","4.21232","0.00004","2.83681","0.00003","90","","90","","90","","56.2174","0.001","","","","","","","","","","","","5","P n n m","-P 2 2n","58","AlOOH delta phase","","delta-(Al,Mg,Si)OOH","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al1.68 H2 Mg0.14 O4 Si0.14 -","2","0.25","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188427","2020-10-21","18:00:00",""
"1549512","8.3881","0.0013","10.7179","0.0011","5.1311","0.0009","90","","90","","90","","461.3","0.12","","","","","","","1","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O","","hemimorphite","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1bar, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208135","2020-10-21","18:00:00",""
"1549513","8.3512","0.0009","10.7136","0.0015","5.1092","0.0002","90","","90","","90","","457.13","0.08","","","","","","","170000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.17 GPa","","hemimorphite at 0.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208136","2020-10-21","18:00:00",""
"1549514","8.3359","0.0008","10.7125","0.0013","5.10008","0.00019","90","","90","","90","","455.43","0.07","","","","","","","470000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.47 GPa","","hemimorphite at 0.47 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208137","2020-10-21","18:00:00",""
"1549515","8.2849","0.0008","10.7055","0.0013","5.0843","0.00018","90","","90","","90","","450.95","0.07","","","","","","","1300000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.30 GPa","","hemimorphite at 1.30 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208138","2020-10-21","18:00:00",""
"1549516","8.2453","0.001","10.6959","0.0016","5.0691","0.0002","90","","90","","90","","447.05","0.09","","","","","","","1930000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.93 GPa","","hemimorphite at 1.93 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208139","2020-10-21","18:00:00",""
"1549517","8.2209","0.0009","10.692","0.0015","5.0614","0.0002","90","","90","","90","","444.89","0.08","","","","","","","2440000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 2.44 GPa","","hemimorphite at 2.44 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208140","2020-10-21","18:00:00",""
"1549519","8.1407","0.0006","10.6127","0.0009","5.04567","0.00015","90","","90","","90","","435.92","0.05","","","","","","","3170000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.17 GPa","","hemimorphite II at 3.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208143","2020-10-21","18:00:00",""
"1549522","8.0863","0.0008","10.5218","0.0012","5.02927","0.00019","90","","90","","90","","427.9","0.07","","","","","","","4200000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 4.20 GPa","","hemimorphite II at 4.20 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208146","2020-10-21","18:00:00",""
"1549523","8.1034","0.0006","10.5561","0.001","5.0324","0.0002","90","","90","","90","","430.47","0.05","","","","","","","3740000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.74 GPa","","hemimorphite II at 3.74 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208147","2020-10-21","18:00:00",""
"9014436","4.632","","4.632","","6.209","","90","","90","","90","","133.217","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014486","4.682","","4.682","","6.311","","90","","90","","90","","138.344","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015087","4.9501","","4.9501","","6.9259","","90","","90","","90","","169.709","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015309","7.803","","4.382","","8.366","","90","","118.7","","90","","250.913","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 10.1 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015392","7.894","","4.456","","8.582","","90","","119.7","","90","","262.22","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015791","4.908","","4.908","","6.784","","90","","90","","90","","163.416","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016225","8.011","","4.544","","8.89","","90","","121","","90","","277.391","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 4.9 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016249","4.599","","4.599","","6.13","","90","","90","","90","","129.654","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 9.1 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016400","8.011","","4.544","","8.89","","90","","121","","90","","277.391","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.5 GPa, data transformed from Dove et al (2000)","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016403","4.746","","4.746","","6.445","","90","","90","","90","","145.171","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""