# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:49:10+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 'Zeitschrift fuer Kristallographie (149,1979-)') AND volume = 213 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
"1100631","9.81","0.003","7.671","0.001","16.541","0.006","90","","100.51","0.02","90","","1223.87","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Li N2 O -","- C12 H19 Li2 N3 O -","- C48 H76 Li8 N12 O4 -","4","1","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of 1-lithio-1-phenyl-2,2-dimethylhydrazinetetrahydrofuran, [(C~6~H~5~)(CH~3~)~2~N~2~]Li·C~4~H~8~O","Zeitschrift für Kristallographie","1998","213","1-4","621","622","10.1524/ncrs.1998.213.14.649","","","","","","","","","","","","","","","","","","","","","has coordinates","178098","2020-10-21","18:00:00",""
"6000208","3.4517","","9.9123","","5.1864","","90","","90","","90","","177.45","","","","","","","","","","","","","4","Pmn2","","","","","","- C2 H3 Na O2 -","","","","","","Helmholdt, R. B.; Sonneveld, E. J.; Schenk, H.","Ab initio crystal structure determination of beta-sodium acetate from powder data","Zeitschrift für Kristallographie","1998","213","11","596","598","10.1524/zkri.1998.213.11.596","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000414","9.057","","12.211","","6.155","","90","","104.82","","90","","658.07","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co H12 K2 O14 S2 -","- Co H12 K2 O14 S2 -","- Co2 H24 K4 O28 S4 -","2","0.5","","Kirfel, A.; Klapper, H.; Schafer, W.; Schwabenlander, F.","The crystal structure of Tutton's salt type K-2[Co(H2O)(6)](SO4)(2). A combined X-ray and neutron study","Zeitschrift für Kristallographie","1998","213","9","456","460","10.1524/zkri.1998.213.9.456","","","","","","","","","","","","","","","","","","","","","has coordinates","208443","2020-10-21","18:00:00",""
"6000415","18.92","","8.441","","5.21","","90","","90.82","","90","","831.97","","","","","","","","","","","","","4","P 1 21/n 1","","","","","","- C7 H7 N5 O3 -","","","","","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Zhukov, S. G.; Aslanov, L. A.; Sonneveld, E. J.; Makarov, V. A.; Granik, V. G.; Trounov, V. A.; Kurbakov, A. I.","Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data","Zeitschrift für Kristallographie","1998","213","9","477","482","10.1524/zkri.1998.213.9.477","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000416","7.643","","9.142","","7.492","","111.12","","100.66","","102.58","","456.21","","","","","","","","","","","","","4","P -1","","","","","","- C8 H9 N5 O2 -","","","","","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Zhukov, S. G.; Aslanov, L. A.; Sonneveld, E. J.; Makarov, V. A.; Granik, V. G.; Trounov, V. A.; Kurbakov, A. I.","Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data","Zeitschrift für Kristallographie","1998","213","9","477","482","10.1524/zkri.1998.213.9.477","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000639","7.808","","10.252","","6.587","","90","","90","","90","","527.27","","","","493","","","","","","","","","3","P n m a","","","","","","- Cu3 S3 Sb -","","","","","","Pfitzner, A.","Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification","Zeitschrift für Kristallographie","1998","213","4","228","236","10.1524/zkri.1998.213.4.228","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000640","7.884","","10.221","","6.624","","90","","90","","90","","533.78","","","","223","","","","","","","","","3","P 21 21 21","","","","","","- Cu3 S3 Sb -","","","","","","Pfitzner, A.","Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification","Zeitschrift für Kristallographie","1998","213","4","228","236","10.1524/zkri.1998.213.4.228","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8104329","4.29","","16.37","","8.716","","90","","90","","90","","612.101","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dy Pt Ge2","","- Dy Ge2 Pt -","- Dy Ge2 Pt -","- Dy8 Ge16 Pt8 -","8","0.5","","Papathanassiou, G.; Kotsanidis, P.A.; Yakinthos, J.K.; Schaefer, W.","Amplitude sine modulated magnetic structures of Dy Pt Ge2","Zeitschrift fuer Kristallographie (149,1979-)","1998","213","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104340","9.367","","9.367","","18.58269","","90","","90","","90","","1630.46","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Mn7 O8 (Si O4)","","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Ohmann, S.; Abs-Wurmbach, I.; Stuesser, N.; Westerholt, K.; Sabine, T.M.","The magnetic structure of braunite Mn2+ (Mn3+)6 O8 / Si O4","Zeitschrift fuer Kristallographie (149,1979-)","1998","213","","19","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104544","8.354","0.001","21.519","0.004","10.24","0.001","90","","90","","90","","1840.8","0.4","","","20","","","","100","","","","","4","A e m 2","A 2 -2b","39","hemimorphite low T form 20 K","","Zn4Si2O7(OH)2H2O","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H32 O80 Si16 Zn32 -","8","1","","Libowitzky, E.; Schultz, A.J.; Young, D.M.","The low-temperature structure and phase transition of hemimorphite, Zn4Si2O7(OH)2.H2O","Zeitschrift fur Kristallographie","1998","213","","659","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","244922","2020-10-21","18:00:00",""
"9011512","4.9997","","5.1681","","4.9832","","97.444","","118.688","","104.661","","104.386","","","","","","","","","","","","Mont St. Hilaire, Quebec","3","P -1","-P 1","2","","","Doyleite","- Al H3 O3 -","- Al H3 O3 -","- Al2 H6 O6 -","2","1","","Clark, G. R.; Rodgers, K. A.; Henderson, G. S.","The crystal chemistry of doyleite, Al(OH)~3~","Zeitschrift f""ur Kristallographie","1998","213","2","96","100","10.1524/zkri.1998.213.2.96","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011513","8.828","","6.821","","15.25","","90","","90","","90","","918.291","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mg Na O4 P -","- Mg Na O4 P -","- Mg12 Na12 O48 P12 -","12","3","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures","Zeitschrift f""ur Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011514","9.12","","5.198","","13.37","","90","","90.78","","90","","633.756","","","","","","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","","Brianite","- Ca Mg Na2 O8 P2 -","- Ca Mg Na2 O8 P2 -","- Ca4 Mg4 Na8 O32 P8 -","4","1","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures Note: known as the alpha polymorph of Na~2~CaMg(PO~4~)~2~","Zeitschrift f""ur Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011515","5.309","","5.309","","7.237","","90","","90","","120","","176.65","","","","","","","","","","","","Synthetic","5","P -3 m 1","-P 3 2""","164","","","","- Ca Mg Na2 O8 P2 -","- Ca Mg Na2 O8 P2 -","- Ca Mg Na2 O8 P2 -","1","0.0833333","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures Note: known as the beta polymorph of Na~2~CaMg(PO~4~)~2~","Zeitschrift f""ur Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011516","15.811","","15.811","","21.499","","90","","90","","120","","4654.44","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca13 Mg5 Na18 O72 P18 -","- Ca13 Mg5 Na18 O72 P18 -","- Ca39 Mg15 Na54 O216 P54 -","3","0.0833333","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures","Zeitschrift f""ur Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011517","14.17","","6.262","","12.999","","90","","113.05","","90","","1061.35","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","4","I 1 2/m 1","-I 2y","12","","","Chloromenite","- Cl6 Cu9 O14 Se4 -","- Cl6 Cu9 O14 Se4 -","- Cl12 Cu18 O28 Se8 -","2","0.25","","Krivovichev, S. V.; Filatov, S. K.; Semenova, T. F.; Rozhdestvenskaya, I. V.","Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra I. Crystal structure of chloromenite, Cu~9~O~2~(SeO~3~)~4~Cl~6~","Zeitschrift f""ur Kristallographie","1998","213","12","645","649","10.1524/zkri.1998.213.12.645","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9016079","5.44","","11.154","","10.333","","90","","90","","90","","626.983","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P b c m","-P 2c 2b","57","","","Coparsite","- As0.54 Cl Cu4 O6 V0.46 -","- As0.54 Cl Cu4 O6 V0.46 -","- As2.16 Cl4 Cu16 O24 V1.84 -","4","0.5","","Starova, G. L.; Krivovichev, S. V.; Filatov, S. K.","Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl","Zeitschrift für Kristallographie","1998","213","12","650","653","10.1524/zkri.1998.213.12.650","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""