# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T14:33:42+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 'Physical Review B') AND volume = 50 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
"9013920","6.0545","","6.0545","","6.0545","","90","","90","","90","","221.94","","","","","","","","0","","","","","2","F -4 3 m","F -4 2 3","216","","","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuI-III","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013921","4.155","","4.155","","20.48","","90","","90","","120","","306.198","","","","","","","","1740000","","","","","2","R -3 m :H","-R 3 2""","166","","","Marshite","- Cu I -","- Cu I -","- Cu6 I6 -","6","0.166667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 1.74 GPa Note: known as CuI-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013922","4.0826","","4.0826","","20.077","","90","","90","","120","","289.803","","","","","","","","3600000","","","","","2","R -3 m :H","-R 3 2""","166","","","Marshite","- Cu I -","- Cu I -","- Cu6 I6 -","6","0.166667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 3.60 GPa Note: known as CuI-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013923","4.0229","","4.0229","","5.6506","","90","","90","","90","","91.448","","","","","","","","5550000","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Marshite","- Cu I -","- Cu I -","- Cu2 I2 -","2","0.125","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.55 GPa Note: known as CuI-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013924","3.968","","3.968","","5.5284","","90","","90","","90","","87.045","","","","","","","","8390000","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Marshite","- Cu I -","- Cu I -","- Cu2 I2 -","2","0.125","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 8.39 GPa Note: known as CuI-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013925","5.4202","","5.4202","","5.4202","","90","","90","","90","","159.238","","","","","","","","0","","","","","2","F -4 3 m","F -4 2 3","216","","","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0416667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuCl-II","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013926","6.4162","","6.4162","","6.4162","","90","","90","","90","","264.14","","","","","","","","5520000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Nantokite","- Cl Cu -","- Cl Cu -","- Cl8 Cu8 -","8","0.333333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.52 GPa Note: known as CuCl-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013927","6.3104","","6.3104","","6.3104","","90","","90","","90","","251.287","","","","","","","","9240000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Nantokite","- Cl Cu -","- Cl Cu -","- Cl8 Cu8 -","8","0.333333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.24 GPa Note: known as CuCl-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013928","4.929","","4.929","","4.929","","90","","90","","90","","119.75","","","","","","","","10490000","","","","","2","F m -3 m","-F 4 2 3","225","","","Nantokite","- Cl Cu -","- Cl Cu -","- Cl4 Cu4 -","4","0.0208333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 10.49 GPa Note: rocksalt structure Note: known as CuCl-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013929","5.6955","","5.6955","","5.6955","","90","","90","","90","","184.755","","","","","","","","0","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013930","5.498","","5.498","","5.498","","90","","90","","90","","166.194","","","","","","","","4850000","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013931","3.9411","","3.9411","","5.0054","","90","","90","","90","","77.745","","","","","","","","4850000","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br Cu -","- Br Cu -","- Br2 Cu2 -","2","0.125","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: known as CuBr-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013932","3.9397","","3.9397","","5.0033","","90","","90","","90","","77.657","","","","","","","","5080000","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Br Cu -","- Br Cu -","- Br2 Cu2 -","2","0.125","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-IV","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013933","6.7378","","6.7378","","6.7378","","90","","90","","90","","305.882","","","","","","","","5080000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Br Cu -","- Br Cu -","- Br8 Cu8 -","8","0.333333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013934","6.6674","","6.6674","","6.6674","","90","","90","","90","","296.394","","","","","","","","7290000","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Br Cu -","- Br Cu -","- Br8 Cu8 -","8","0.333333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013935","5.1701","","5.1701","","5.1701","","90","","90","","90","","138.196","","","","","","","","9280000","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0208333","","Hull, S.; Keen, D. A.","High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.28 GPa Note: rocksalt structure Note: known as CuBr-VI","Physical Review B","1994","50","","5868","5885","10.1103/PhysRevB.50.5868","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""