# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-14T11:36:01+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 'Journal of Physics and Chemistry of Solids') AND volume = 60 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
"1520795","8.387","","8.387","","8.387","","90","","90","","90","","589.956","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.7 Mn0.27 Ga0.03) (Cu0.15 Mn0.36 Ga0.49)2 O4","","- Cu Ga1.01 Mn0.99 O4 -","- Cu Ga1.01 Mn0.99 O4 -","- Cu8 Ga8.08 Mn7.92 O32 -","8","0.0416667","","Asbrink, S.; Waskowska, A.; Talik, E.","Distribution of metal ions and magnetic susceptibility in Cu Ga Mn O4 spinel","Journal of Physics and Chemistry of Solids","1999","60","","573","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520829","3.07378","","3.07378","","17.6803","","90","","90","","120","","144.666","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Si C2","","- C2 Si Ti3 -","- C2 Si Ti3 -","- C4 Si2 Ti6 -","2","0.0833333","","Barsoum, M.W.; El-Raghy, T.; Hubbard, C.R.; Rawn, C.J.; Porter, W.D.; Wang, H.; Payzant, E.A.","Thermal properties of Ti3 Si C2","Journal of Physics and Chemistry of Solids","1999","60","","429","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520962","7.38","","9.83","","5.509","","90","","90","","90","","399.653","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","K2 (Cr O4)","","- Cr K2 O4 -","- Cr K2 O4 -","- Cr4 K8 O16 -","4","0.5","","Edwards, C.M.; Haines, J.; Butler, I.S.; Leger, J.M.","High pressure X-ray diffraction study of potassium chromate: pressure-induced orientational disorder and its implications for amorphization in A2 B X4 compounds","Journal of Physics and Chemistry of Solids","1999","60","","529","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521059","6.2517","","8.7906","","6.2271","","90","","90","","90","","342.218","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba (Ce O3)","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","","Genet, F.; Loridant, S.; Ritter, C.; Lucazeau, G.","Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies","Journal of Physics and Chemistry of Solids","1999","60","","2009","2021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521063","6.2514","","6.2514","","6.2514","","60.11","","60.11","","60.11","","173.18","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Ba (Ce O3)","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba2 Ce2 O6 -","2","0.166667","","Genet, F.; Ritter, C.; Loridant, S.; Lucazeau, G.","Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies","Journal of Physics and Chemistry of Solids","1999","60","","2009","2021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521197","2.9763","","2.9763","","13.3503","","90","","90","","120","","102.418","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","H Cr O2","","- Cr H O2 -","- Cr H O2 -","- Cr3 H3 O6 -","3","0.0833333","","Ichikawa, M.; Gustafsson, T.; Tsuchida, T.; Olovsson, I.","Powder neutron-diffraction profile analysis of zero-dimensional H-bonded crystal H Cr O2","Journal of Physics and Chemistry of Solids","1999","60","","1875","1880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521206","13.7258","","13.7258","","8.4031","","90","","90","","120","","1371.03","","","","","","","","","","","","","6","P 6 c c","P 6 -2c","184","","(Al (P O4)) ((C2 H5)3 N)0.0433","","- C0.2598 H0.6495 Al N0.0433 O4 P -","- C0.26 H0.65 Al N0.0433333 O4 P -","- C3.12 H7.8 Al12 N0.52 O48 P12 -","12","1","","Ikeda, T.; Miyazawa, K.; Huang, Q.; Izumi, F.; Santoro, A.","Structural study of the aluminophosphate (Al P O4)-5 by neutron powder diffraction","Journal of Physics and Chemistry of Solids","1999","60","","1531","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521207","13.7711","","23.846","","8.3769","","90","","90","","90","","2750.85","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al24 O96 P24 -","24","6","","Ikeda, T.; Izumi, F.; Miyazawa, K.; Santoro, A.; Huang, Q.","Structural study of the aluminophosphate (Al P O4)-5 by neutron powder diffraction","Journal of Physics and Chemistry of Solids","1999","60","","1531","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521208","8.178","","9.7","","3.934","","90","","90","","90","","312.071","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Sb S Br","","- Br S Sb -","- Br S Sb -","- Br4 S4 Sb4 -","4","0.5","","Inushima, T.","X-ray study of crystal structure and diffuse scattering spectra of ferroelectric Sb S Br having pseudo-Jahn-Teller phase transition","Journal of Physics and Chemistry of Solids","1999","60","","587","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521338","3.8591","","3.8591","","20.17259","","90","","90","","90","","300.423","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr3 Fe2 O6.93","","- Fe2 O6.93 Sr3 -","- Fe2 O6.93 Sr3 -","- Fe4 O13.86 Sr6 -","2","0.0625","","Mori, K.; Kamiyama, T.; Kobayashi, H.; Izumi, F.; Torii, S.; Asano, H.","Crystal structure of Sr3 Fe2 O7-d","Journal of Physics and Chemistry of Solids","1999","60","","1443","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","141085","2020-10-21","18:00:00",""
"1521527","4.08763","","4.08763","","4.06843","","90","","90","","90","","67.978","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","Pb0.987 (Zr0.945 Ti0.029 Nb0.026) O3","","- Nb0.026 O3 Pb0.987 Ti0.029 Zr0.945 -","- Nb0.026 O3 Pb0.987 Ti0.029 Zr0.945 -","- Nb0.026 O3 Pb0.987 Ti0.029 Zr0.945 -","1","0.125","","Liu, H.-C.; Toraya, H.","Study on a new tetragonal phase of Nb-doped lead titanate zirconateby synchrotron X-ray powder diffraction","Journal of Physics and Chemistry of Solids","1999","60","","729","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","141739","2020-10-21","18:00:00",""
"1521754","7.3905","","4.088","","10.0209","","90","","90","","90","","302.755","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (O D) Br","","- Br D O Pb -","- Br D O Pb -","- Br4 D4 O4 Pb4 -","4","0.5","","Peter, S.; Parise, J.B.; Smith, R.I.; Lutz, H.D.","High-pressure neutron diffraction studies on laurionite-type Pb (O D) Br","Journal of Physics and Chemistry of Solids","1999","60","","1859","1863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521913","3.5892","","3.5892","","29.7219","","90","","90","","120","","331.591","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na0.288 Hf N Cl","","- Cl Hf N Na0.288 -","- Cl Hf N Na0.288 -","- Cl6 Hf6 N6 Na1.728 -","6","0.166667","","Shamoto, S.; Kajitani, T.; Iizawa, K.; Yamada, M.; Ohoyama, K.; Yamaguchi, Y.","Structural study on novel two-dimensional superconductor Nax Hf N Cl","Journal of Physics and Chemistry of Solids","1999","60","","1431","1433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522266","5.342","","5.342","","3.542","","90","","90","","90","","101.078","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Dy B2 C2","","- C2 B2 Dy -","- C2 B2 Dy -","- C4 B4 Dy2 -","2","0.125","","Yamauchi, H.; Onodera, H.; Ohashi, M.; Onimaru, T.; Kosaka, M.; Ohoyama, K.; Yamaguchi, Y.","Magnetic structure modified by the quadrupolar interaction in Dy B2 C2","Journal of Physics and Chemistry of Solids","1999","60","","1217","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000360","4.757","","4.757","","5.246","","90","","90","","120","","102.81","","","","","","","","","","","","","3","P 32 2 1","","","","","","- N O P -","","","","","","Leger, J. M.; Haines, J.; de Oliveira, L. S.; Chateau, C.; Le, Sauze A; Marchand, R.; Hull, S.","Crystal structure and high pressure behaviour of the quartz-type phase of phosphorus oxynitride pon","Journal of Physics and Chemistry of Solids","1999","60","","145","152","10.1016/S0022-3697(98)00282-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000777","4.084","","4.084","","4.0674","","90","","90","","90","","67.84","","","","","","","","","","","","","4","P 4 m m","","","","","","- O3 Pb Ti0.03 Zr0.97 -","","","","","","Liu, H. C.; Toraya, H.","Study on a new tetragonal phase of Nb-doped lead titanate zirconate by synchrotron X-ray powder diffraction","Journal of Physics and Chemistry of Solids","1999","60","","729","735","10.1016/S0022-3697(98)00346-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9014894","7.6199","","13.0265","","6.7374","","90","","90","","90","","668.759","","","","","","","","","","","","Synthetic","4","C c m 21","C 2c -2c","36","","","","- Ba O7 Si2 Zn2 -","- Ba O7 Si2 Zn2 -","- Ba4 O28 Si8 Zn8 -","4","0.5","","Lin, J. H.; Lu, G. X.; Du, J.; Su, M. Z.; Loong, C. K.; Richardson, J. W.","Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C","Journal of Physics and Chemistry of Solids","1999","60","","975","983","10.1016/S0022-3697(99)00004-9","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""