# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T07:57:49+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 = 61 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
"1520911","5.27078","","6.46916","","4.98401","","90","","90","","90","","169.942","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mg Si N2","","- Mg N2 Si -","- Mg N2 Si -","- Mg4 N8 Si4 -","4","1","","Bruls, R.J.; Loong, C.-K.; Metselaar, R.; Hintzen, H.T.","Anisotropic thermal expansion of Mg Si N2 from 10 to 300 K as measured by neutron diffraction","Journal of Physics and Chemistry of Solids","2000","61","","1285","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520934","4.898","","8.576","","4.351","","90","","90","","90","","182.765","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","","Champarnaud-Mesjard, J.C.; Blanchandin, S.; Thomas, P.; Mirgorodsky, A.; Frit, B.; Merle-Mejean, T.","Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide : gamma-(Te O2)","Journal of Physics and Chemistry of Solids","2000","61","","1499","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521008","8.1401","","8.1401","","8.1401","","90","","90","","90","","539.373","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Pb (Sc0.5 Ta0.5) O3","","- O3 Pb Sc0.5 Ta0.5 -","- O3 Pb Sc0.5 Ta0.5 -","- O24 Pb8 Sc4 Ta4 -","8","0.0416667","","Dmowski, W.; Akbas, M.A.; Egami, T.; Davies, P.K.","Local structure of Pb (Sc1/2 Ta1/2) O3 and related compounds","Journal of Physics and Chemistry of Solids","2000","61","","229","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521010","6.4163","","9.4798","","11.667","","90","","102.149","","90","","693.755","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na Ba V S4","","- Ba Na S4 V -","- Ba Na S4 V -","- Ba4 Na4 S16 V4 -","4","1","","Figueroa, E.; Leman, J.T.; Evans, W.J.; Ziller, J.W.; Lawrence, J.M.; Thompson, J.D.","Crystal growth and physical characterisation of Na Ba V S4 obtained from sodium polysulfide flux","Journal of Physics and Chemistry of Solids","2000","61","","773","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521085","5.6793","","12.3841","","5.6793","","90","","90","","90","","399.442","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","La K O (C O3)","","- C K La O4 -","- C K La O4 -","- C4 K4 La4 O16 -","4","0.5","","Guenther, W.; Paulus, W.; Schoellhorn, R.","Stacking disorder in a layered carbonate phase: the structure of LaK O C O3","Journal of Physics and Chemistry of Solids","2000","61","","1945","1953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521086","4.0154","","4.0154","","12.3843","","90","","90","","90","","199.677","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","La K O (C O3)","","- C K La O4 -","- C K La O4 -","- C2 K2 La2 O8 -","2","0.125","","Guenther, W.; Paulus, W.; Schoellhorn, R.","Stacking disorder in a layered carbonate phase: the structure of La K O C O3","Journal of Physics and Chemistry of Solids","2000","61","","1945","1953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521772","5.1378","","5.1378","","13.4987","","90","","90","","120","","308.587","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Postnikov, A.V.; Caciuc, V.; Borstel, G.","Structure optimization and frozen phonons in Li Nb O3","Journal of Physics and Chemistry of Solids","2000","61","","295","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521809","3.872","","3.872","","12.727","","90","","90","","90","","190.808","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 (Ru0.9 Ir0.1) O4","","- Ir0.1 O4 Ru0.9 Sr2 -","- Ir0.1 O4 Ru0.9 Sr2 -","- Ir0.2 O8 Ru1.8 Sr4 -","2","0.0625","","Rama Rao, M.V.; Panigrahi, B.; Sathe, V.G.; Shripathi, T.; Sornadurai, D.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","142025","2020-10-21","18:00:00",""
"1521810","3.878","","3.878","","12.796","","90","","90","","90","","192.438","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 (Ru0.6 Ir0.4) O4","","- Ir0.4 O4 Ru0.6 Sr2 -","- Ir0.4 O4 Ru0.6 Sr2 -","- Ir0.8 O8 Ru1.2 Sr4 -","2","0.0625","","Rama Rao, M.V.; Shripathi, T.; Sathe, V.G.; Sornadurai, D.; Panigrahi, B.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","142026","2020-10-21","18:00:00",""
"1521811","5.489","","5.489","","25.67","","90","","90","","90","","773.415","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Sr2 (Ru0.4 Ir0.6) O4","","- Ir0.6 O4 Ru0.4 Sr2 -","- Ir0.6 O4 Ru0.4 Sr2 -","- Ir4.8 O32 Ru3.2 Sr16 -","8","0.25","","Rama Rao, M.V.; Sathe, V.G.; Shripathi, T.; Sornadurai, D.; Panigrahi, B.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","142027","2020-10-21","18:00:00",""
"1521812","5.493","","5.493","","25.77699","","90","","90","","90","","777.77","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Sr2 (Ir O4)","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Rama Rao, M.V.; Sathe, V.G.; Sornadurai, D.; Panigrahi, B.; Shripathi, T.","Metal to insulator transition in Sr2 Ru1-x Irx O4","Journal of Physics and Chemistry of Solids","2000","61","","1989","1999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521888","5.582","","7.845","","5.553","","90","","90","","90","","243.17","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Mn0.5 Rh0.5) O3","","- La Mn0.5 O3 Rh0.5 -","- La Mn0.5 O3 Rh0.5 -","- La4 Mn2 O12 Rh2 -","4","0.5","","Schinzer, C.","A new ferromagnetic perovskite: La Mn1/2 Rh1/2 O3","Journal of Physics and Chemistry of Solids","2000","61","","1543","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000106","3.813","0.0005","3.813","0.0005","34.723","0.0004","90","","90","","90","","504.84","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ca1.85 Cu3.22 O10 Sr2 Tl1.93 -","- Ca3.7 Cu6.44 O20 Sr4 Tl3.86 -","- Ca3.7 Cu6.44 O20 Sr4 Tl3.86 -","","","","Kandyel, E.; Wu, X. J.; Tajima, S.","Annealing study on (Tl1-xHgx)(2)Sr2Ca2Cu3Oy and determination of its crystal structure by X-ray powder diffractometry","Journal of Physics and Chemistry of Solids","2000","61","","1379","1388","10.1016/S0022-3697(00)00021-4","","","","","","0.034","","","0.0453","","","","","","","","","","","","has coordinates","176292","2020-10-21","18:00:00",""