# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-07T03:22:26+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 'Zeitschrift fur Kristallographie') AND volume = 222 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
"1544374","5.14036","0.00009","5.06489","0.00009","7.25745","0.00013","90","","90","","90","","188.95","0.006","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","delta-Al(OD)3","","","- Al D3 O3 -","- Al D3 O3 -","- Al4 D12 O12 -","4","0.5","","Komatsu, K.; Sano, A.; Momma, K.; Ohtani, E.; Kudoh, Y.","Crystal structures of high-pressure phases in the alumina-water system: II. powder X-ray diffraction study of a new dense aluminum deuteroxide, delta-Al(OD)3","Z. Kristallogr.","2007","222","","13","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","187622","2020-10-21","18:00:00",""
"1544375","8.675","0.001","5.069","0.0007","9.726","0.001","90","","94.55","0.01","90","","426.34","0.09","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Al(OH)3 gibbsite","","gibbsite","- Al H3 O3 -","- Al H3 O3 -","- Al8 H24 O24 -","8","2","","Komatsu, K.; Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Crystal structures of high-pressure phases in the alumina-water system: I. single crystal X-ray diffraction and molecular dynamics simulation of eta-Al(OH)3","Z. Kristallogr.","2007","222","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","187623","2020-10-21","18:00:00",""
"1544376","8.612","0.003","5.013","0.002","9.194","0.005","90","","90","","90","","396.9","0.3","","","","","","","","","","","","3","P 21/b 1 1","-P 2xab","14","Al(OH)3 eta phase","","eta-Al(OH)3","- Al H3 O3 -","- Al O3 -","- Al8 O24 -","8","2","","Komatsu, K.; Kuribayashi, T.; Kudoh, Y.; Kagi, H.","Crystal structures of high-pressure phases in the alumina-water system: I. single crystal X-ray diffraction and molecular dynamics simulation of eta-Al(OH)3 : sample at 3.0 GPa, RT","Z. Kristallogr.","2007","222","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"9011536","12.501","","5.846","","9.443","","90","","90","","90","","690.102","","","","","","","","","","","","Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia","5","C m c m","-C 2c 2","63","","","Podlesnoite","- C2 Ba Ca2 F2 O6 -","- C2 Ba Ca2 F2 O6 -","- C8 Ba4 Ca8 F8 O24 -","4","0.25","","Zubkova, N. V.; Pushcharovsky, D. Y.; Pekov, I. V.; Rabadanov, M. K.","The crystal structure of podlesnoite, BaCa2(CO3)2F2","Zeitschrift fur Kristallographie","2007","222","","474","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9013917","7.97187","","8.62844","","10.26276","","90","","94.801","","90","","703.445","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Dmitryivanovite","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al16 Ca8 O32 -","8","2","","Lazic, B.; Kahlenberg, V.; Konzett, J.","Structural studies on a stuffed framework high pressure polymorph of CaAl2O4","Zeitschrift fur Kristallographie","2007","222","","690","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014489","7.0755","","4.8739","","8.4471","","90","","90","","90","","291.301","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Gd O4 -","- C H Gd O4 -","- C4 H4 Gd4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014702","7.1388","","4.9151","","8.4717","","90","","90","","90","","297.254","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Kozoite-(Sm)","- C H O4 Sm -","- C H O4 Sm -","- C4 H4 O16 Sm4 -","4","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014709","7.1002","","4.8932","","8.453","","90","","90","","90","","293.68","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Eu O4 -","- C H Eu O4 -","- C4 H4 Eu4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014825","6.9591","","4.8141","","8.4722","","90","","90","","90","","283.834","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Y -","- C H O4 Y -","- C4 H4 O16 Y4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015295","6.9028","","4.7833","","8.5086","","90","","90","","90","","280.938","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Tm -","- C H O4 Tm -","- C4 H4 O16 Tm4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015649","7.2333","","4.964","","8.4908","","90","","90","","90","","304.872","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Kozoite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C4 H4 Nd4 O16 -","4","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015908","6.9583","","4.8121","","8.4558","","90","","90","","90","","283.134","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Ho O4 -","- C H Ho O4 -","- C4 H4 Ho4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015925","9.3771","","9.3771","","7.7117","","90","","90","","90","","678.09","","","","","","","","","","","","Synthetic","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C H O4 Yb -","- C H O4 Yb -","- C8 H8 O32 Yb8 -","8","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016089","7.0256","","4.8577","","8.4657","","90","","90","","90","","288.92","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Tb -","- C H O4 Tb -","- C4 H4 O16 Tb4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016264","6.9386","","4.7963","","8.4863","","90","","90","","90","","282.421","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Er O4 -","- C H Er O4 -","- C4 H4 Er4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016509","9.3951","","9.3951","","7.7546","","90","","90","","90","","684.482","","","","","","","","","","","","Synthetic","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C H O4 Tm -","- C H O4 Tm -","- C8 H8 O32 Tm8 -","8","0.5","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016652","6.9813","","4.8336","","8.4449","","90","","90","","90","","284.972","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Dy O4 -","- C H Dy O4 -","- C4 H4 Dy4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""