# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:15:57+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 fur Kristallographie') AND volume = 117 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
"9008078","5.411","","14.49","","4.73","","90","","102.75","","90","","361.713","","","","","","","","","","","","the Viitaniemi pegmatite in the parish of Erajarvi in central Finland","6","P 1 21/a 1","-P 2yab","14","","","Vayrynenite","- Be Fe0.1 H Mn0.8 O5 P -","- Be Fe0.15 Mn0.85 O5 P -","- Be4 Fe0.6 Mn3.4 O20 P4 -","4","1","","Mrose, M. E.; Appleman, D. E.","The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland","Zeitschrift fur Kristallographie","1962","117","","16","36","10.1524/zkri.1962.117.1.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008079","4.763","","14.29","","4.618","","90","","100.25","","90","","309.3","","","","","","","","","","","","Villa Rica, Minas Gerais, Brazil","5","P 1 21/a 1","-P 2yab","14","","","Euclase","- Al Be H O5 Si -","- Al Be H O5 Si -","- Al4 Be4 H4 O20 Si4 -","4","1","","Mrose, M. E.; Appleman, D. E.","The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)","Zeitschrift fur Kristallographie","1962","117","","16","36","10.1524/zkri.1962.117.1.16","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9008080","7.98","","7.98","","9.78","","90","","90","","90","","622.794","","","","123.15","","","","","","","","","3","P 42","P 4c","77","","","Gwihabaite","- H4 N2 O3 -","- H4 N2 O3 -","- H32 N16 O24 -","8","2","","Amoros, J. L.; Arrese, F.; Canut, M.","The crystal structure of the low-temperature phase of NH4NO3(V) at -150 deg C Note: sample at T = -150 C, this is a low temperature form","Zeitschrift fur Kristallographie","1962","117","","92","107","10.1524/zkri.1962.117.2-3.92","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008081","4.7589","","4.7589","","12.991","","90","","90","","120","","254.792","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008082","5.149","","5.149","","13.642","","90","","90","","120","","313.224","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Tistarite","- O3 Ti2 -","- O3 Ti2 -","- O18 Ti12 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008083","4.952","","4.952","","14.002","","90","","90","","120","","297.36","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Karelianite","- O3 V2 -","- O3 V2 -","- O18 V12 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008084","4.9607","","4.9607","","13.599","","90","","90","","120","","289.817","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Eskolaite","- Cr2 O3 -","- Cr2 O3 -","- Cr12 O18 -","6","0.166667","","Newnham, R. E.; de Haan, Y. M.","Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures","Zeitschrift fur Kristallographie","1962","117","","235","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008085","4.523","","7.661","","4.524","","90","","90","","90","","156.76","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","","","Gallium","- Ga -","- Ga -","- Ga8 -","8","0.5","","Sharma, B. D.; Donohue, J.","A refinement of the crystal structure of gallium","Zeitschrift fur Kristallographie","1962","117","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008086","15.412","","7.157","","13.824","","89.48","","94.85","","102.93","","1480.78","","","","","","","","","","","","Franklin, New Jersey, USA","4","F -1","-F 1","2","","","Bustamite","- Ca Mn O6 Si2 -","- Ca Mn O6 Si2 -","- Ca12 Mn12 O72 Si24 -","12","","","Peacor, D. R.; Buerger, M. J.","Determination and refinement of the crystal structure of bustamite, CaMnSi2O6","Zeitschrift fur Kristallographie","1962","117","","331","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008087","9.324","","12.597","","6.211","","90","","107.14","","90","","697.11","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Boussingaultite","- H20 Mg N2 O14 S2 -","- H20 Mg N2 O14 S2 -","- H40 Mg2 N4 O28 S4 -","2","0.5","","Margulis, T. N.; Templeton, D. H.","Crystal structure and hydrogen bonding of magnesium ammonium sulfate hexahydrate","Zeitschrift fur Kristallographie","1962","117","","344","357","10.1524/zkri.1962.117.5-6.344","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008088","6.966","","6.966","","6.46","","90","","90","","120","","271.475","","","","","","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Ximengite","- Bi O4 P -","- Bi O4 P -","- Bi3 O12 P3 -","3","0.5","","Mooney-Slater R C L","Polymorphic forms of bismuth phosphate","Zeitschrift fur Kristallographie","1962","117","","371","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008089","4.88","","7.06","","4.71","","90","","96.3","","90","","161.293","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","1","","Mooney-Slater R C L","Polymorphic forms of bismuth phosphate Note: this is a high-temperature form, with the monazite structure","Zeitschrift fur Kristallographie","1962","117","","371","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008090","15.582","","3.82","","9.112","","90","","99.764","","90","","534.519","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","Jeppeite","- K2 O13 Ti6 -","- K2 O13 Ti6 -","- K4 O26 Ti12 -","2","0.25","","Cid-Dresdner H; Buerger, M. J.","The crystal structure of potassium hexatitanate K2Ti6O13","Zeitschrift fur Kristallographie","1962","117","","411","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008091","8.799","","5.319","","7.115","","90","","90","","90","","332.995","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 S Sn -","- O4 S Sn -","- O16 S4 Sn4 -","4","0.5","","Rentzeperis, P. J.","The crystal structure of the anhydrous stannous sulphate","Zeitschrift fur Kristallographie","1962","117","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008092","5.01","","5.01","","5.47","","90","","90","","120","","118.903","","","","923.15","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.25","","Arnold, H.","Die struktur des hochquarzes Note: sample is at T = 650 deg C Note: symmetry constraints on the temperature factors were applied incorrectly","Zeitschrift fur Kristallographie","1962","117","","467","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008093","5.01","","5.01","","5.47","","90","","90","","120","","118.903","","","","923.15","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Arnold, H.","Die struktur des hochquarzes Note: sample is at T = 650 deg C, under the false assumption that it is twinned","Zeitschrift fur Kristallographie","1962","117","","467","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""