# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T00:54:34+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 = 149 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
"8103525","15.19","","15.19","","15.19","","32.4","","32.4","","32.4","","894.647","","","","","","","","","","","","","4","R -3 c :R","-P 3* 2n","167","","K2 (Zn (C N)4)","","- C4 K2 N4 Zn -","- C4 K2 N4 Zn -","- C16 K8 N16 Zn4 -","4","0.333333","","Ahsbahs, H.","Einkristalluntersuchungen an Hochdruckmodifikationen von K2 Zn (C N)4","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","151","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103530","18.255","","7.564","","9.894","","90","","117.6","","90","","1210.71","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- K0.3 Mo O3 -","- K0.3 Mo O3 -","- K6 Mo20 O60 -","20","2.5","","Bartl, H.; Schuster, D.; Schroeder, F.A.","Verfeinerung der Kristallstruktur der blauen Kalium Molybdaen-bronze, K0.3 Mo O3, durch Roentgenbeugung","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","127","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103531","8.827","","9.958","","7.841","","90","","112.4","","90","","637.214","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","S3 N2 O5","","- N2 O5 S3 -","- N2 O5 S3 -","- N8 O20 S12 -","4","1","","Bartl, H.; Rodek, E.","Untersuchung der Kristall- und Molekuelstruktur von S3 N2 O5","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","144686","2020-10-21","18:00:00",""
"8103538","8.314","","8.314","","8.314","","90","","90","","90","","574.685","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Eu3 S4 -","- Eu3 S4 -","- Eu12 S16 -","4","0.0833333","","Denner, W.; Wichelhaus, W.; Schulz, H.","Absorptionseinfluesse bei der Strukturanalyse unter hohem Druck am Beispiel von Eu3 S4","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","134","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103563","4.028","","4.028","","6.469","","90","","90","","120","","90.896","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Th Cu2 P2","","- Cu2 P2 Th -","- Cu2 P2 Th -","- Cu2 P2 Th -","1","0.0833333","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103564","4.035","","4.035","","6.744","","90","","90","","120","","95.09","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Zn2 P2","","- P2 Yb Zn2 -","- P2 Yb Zn2 -","- P2 Yb Zn2 -","1","0.0833333","","Kluefers, P.; Schuster, H.U.; Mewis, A.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103565","3.946","","3.946","","6.462","","90","","90","","120","","87.139","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Yb Zn Cu P2","","- Cu P2 Yb Zn -","- Cu P2 Yb Zn -","- Cu P2 Yb Zn -","1","0.0833333","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103566","3.964","","3.964","","40.296","","90","","90","","120","","548.353","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Yb Cu2.56 P2","","- Cu2.56 P2 Yb -","- Cu2.56 P2 Yb -","- Cu15.36 P12 Yb6 -","6","0.166667","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103567","3.951","","3.951","","59.46","","90","","90","","120","","803.84","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Yb9 Cu20.4 P18","","- Cu20.4 P18 Yb9 -","- Cu20.4 P18 Yb9 -","- Cu20.4 P18 Yb9 -","1","0.0277778","","Kluefers, P.; Mewis, A.; Schuster, H.U.","(A B2 X2) - Verbindungen im Ca Al2 Si2 -Typ, VI. Zur Struktur von Th Cu2 P2, Yb Zn2 P2 und Yb Zn Cu P2 sowie den verwandten Verbindungen Yb Cu3 P2 und Yb Cu2 P2","Zeitschrift fuer Kristallographie (149,1979-)","1979","149","","211","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","145527","2020-10-21","18:00:00",""
"9008273","11.58","","11.58","","11.58","","90","","90","","90","","1552.84","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag8.012 Ge Te6 -","- Ag8.012 Ge Te6 -","- Ag32.048 Ge4 Te24 -","4","0.0416667","","Geller, S.","The crystal structure of gamma Ag8GeTe6, a potential mixed electronic- ionic conductor Note: model with Ag distributed only over tetrahedral sites, R = 9.7%","Zeitschrift fur Kristallographie","1979","149","","31","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008274","11.58","","11.58","","11.58","","90","","90","","90","","1552.84","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag7.946 Ge Te6 -","- Ag7.946 Ge Te6 -","- Ag31.784 Ge4 Te24 -","4","0.0416667","","Geller, S.","The crystal structure of gamma Ag8GeTe6, a potential mixed electronic- ionic conductor Note: proposed model, R = 8.0%","Zeitschrift fur Kristallographie","1979","149","","31","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008275","5.27","","14.097","","16.059","","90","","90","","90","","1193.04","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- Ge3 O7 Pb -","- Ge3 O7 Pb -","- Ge24 O56 Pb8 -","8","1","","Otto, H. H.","Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler neben tetraedrischer koordination","Zeitschrift fur Kristallographie","1979","149","","197","205","10.1524/zkri.1979.149.3-4.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008276","5.26","","10.437","","5.477","","90","","92.55","","90","","300.382","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ge O5 Pb3 -","- Ge O5 Pb3 -","- Ge2 O10 Pb6 -","2","1","","Otto, H. H.","Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]","Zeitschrift fur Kristallographie","1979","149","","227","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008277","10.578","","6.345","","7.863","","90","","117.98","","90","","466.057","","","","","","","","","","","","Fowey Consols, England","4","P 1 a 1","P -2ya","7","","","Posnjakite","- Cu4 H8 O11 S -","- Cu4 H8 O11 S -","- Cu8 H16 O22 S2 -","2","1","","Mellini, M.; Merlino, S.","Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure","Zeitschrift fur Kristallographie","1979","149","","249","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008278","7.006","","7.006","","9.786","","90","","90","","120","","415.984","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Bi2 Ge3 O9 -","- Bi2 Ge3 O9 -","- Bi4 Ge6 O18 -","2","0.166667","","Grabmaier, B. C.; Haussuhl, S.; Klufers, P.","Crystal growth, structure, and physical properties of Bi2Ge3O9","Zeitschrift fur Kristallographie","1979","149","","261","267","10.1524/zkri.1979.149.3-4.261","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008279","4.9355","","5.2313","","7.2007","","90","","90","","90","","185.915","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Sinclair, W.; Eggleton, R. A.; Ringwood, A. E.","Crystal synthesis and structure refinement of high-pressure ScAlO3 perovskite","Zeitschrift fur Kristallographie","1979","149","","307","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008280","7.148","","12.334","","7.112","","90","","120.3","","90","","541.365","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","Coesite","- O2 Si -","- O2 Si -","- O32 Si16 -","16","4","","Kirfe, A.; Will, G.; Arndt, J.","A new phase of coesite SiO2 Note: this is a synthetic, twinned crystal of a typical coesite, it is not really a new phase","Zeitschrift fur Kristallographie","1979","149","","315","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008281","4.976","","4.976","","6.746","","90","","90","","90","","167.035","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- Ag Cl O4 -","- Ag Cl O4 -","- Ag2 Cl2 O8 -","2","0.125","","Berthold, H. J.; Ludwig, W.; Wartchow, R.","Verfeinrung der kristallstruktur des silberperchlorats AgClO4","Zeitschrift fur Kristallographie","1979","149","","327","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""