# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T08:58:09+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 = 121 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
"9008097","7.208","","7.208","","21.436","","90","","90","","120","","964.504","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- As I3 -","- As I3 -","- As6 I18 -","6","0.333333","","Trotter, J.","The crystal structure of arsenic triiodide, AsI3","Zeitschrift fur Kristallographie","1965","121","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008098","8.269","","8.269","","8.269","","51.683","","51.683","","51.685","","321.561","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","","","- As I3 -","- As I3 -","- As2 I6 -","2","0.333333","","Trotter, J.","The crystal structure of arsenic triiodide, AsI3","Zeitschrift fur Kristallographie","1965","121","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008099","7.424","","7.629","","9.91","","68.61","","69.71","","65.08","","461.403","","","","","","","","","","","","Virginia, USA","5","P -1","-P 1","2","","","Turquoise","- Al6 Cu H16 O28 P4 -","- Al6 Cu H16 O28 P4 -","- Al6 Cu H16 O28 P4 -","1","0.5","","Cid-Dresdner H","Determination and refinement of the crystal structure of turquois, CuAl6(PO4)4(OH)8*4H2O Locality: Virginia, USA","Zeitschrift fur Kristallographie","1965","121","","87","113","10.1524/zkri.1965.121.2-4.87","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008100","9.331","","9.331","","12.85","","90","","90","","90","","1118.82","","","","","","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- H18 Na2 O9 S -","- Na2 O9 S -","- Na8 O36 S4 -","4","0.5","","Bedlivy, D.; Preisinger, A.","Die struktur von Na2S*9H2O und Na2Se*9H2O","Zeitschrift fur Kristallographie","1965","121","","114","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008101","9.496","","9.496","","13.057","","90","","90","","90","","1177.4","","","","","","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- H18 Na2 O9 Se -","- H18 Na2 O9 Se -","- H72 Na8 O36 Se4 -","4","0.5","","Bedlivy, D.; Preisinger, A.","Die struktur von Na2S*9H2O und Na2Se*9H2O","Zeitschrift fur Kristallographie","1965","121","","114","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008102","6.475","","12.545","","8.655","","90","","90","","90","","703.036","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 S -","- Na2 O5 S -","- Na8 O20 S4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008103","6.569","","12.873","","8.912","","90","","90","","90","","753.623","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 Se -","- H10 Na2 O5 Se -","- H40 Na8 O20 Se4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008104","6.735","","13.469","","9.219","","90","","90","","90","","836.29","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- H10 Na2 O5 Te -","- H10 Na2 O5 Te -","- H40 Na8 O20 Te4 -","4","0.25","","Bedlivy, D.; Preisinger, A.","Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O","Zeitschrift fur Kristallographie","1965","121","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008105","5.4312","","5.4312","","12.1065","","90","","90","","90","","357.117","","","","","","","","","","","","Los Lamentos, Mexico","3","I 41/a :2","-I 4ad","88","","","Wulfenite","- Mo O4 Pb -","- Mo O4 Pb -","- Mo4 O16 Pb4 -","4","0.25","","Leciejewicz, J.","A neutron crystallographic investigation of lead molybdenum oxide, PbMoO4","Zeitschrift fur Kristallographie","1965","121","","158","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008106","8.377","","5.35","","6.873","","90","","90","","90","","308.027","","","","","","","","","","","","France Stone Company's quarry near Waterville, Ohio, USA","3","P n m a","-P 2ac 2n","62","","","Celestine","- O4 S Sr -","- O4 S Sr -","- O16 S4 Sr4 -","4","0.5","","Garske, D.; Peacor, D. R.","Refinement of the structure of celestite SrSO4","Zeitschrift fur Kristallographie","1965","121","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008107","13.95","","12.21","","7.15","","90","","90","","90","","1217.86","","","","","","","","","","","","Fresno County, California, USA","5","P m m n :2","-P 2ab 2a","59","","","Taramellite","- Ba Fe0.5 O7 Si2 Ti0.5 -","- Ba Fe0.5 O7 Si2 Ti0.5 -","- Ba8 Fe4 O56 Si16 Ti4 -","8","1","","Mazzi, F.; Rossi, G.","The crystal structure of taramellite Ba2(Fe,Ti,Mg)2H2(O2(Si4O12))","Zeitschrift fur Kristallographie","1965","121","","243","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008108","10.81","","35.36","","8.16","","90","","90","","90","","3119.09","","","","","","","","","","","","Lengenbach, Binnatal, Valais, Switzerland","4","P b c a","-P 2ac 2ab","61","","","Hutchinsonite","- As5 Pb S9 Tl -","- As5 Pb S9 Tl -","- As40 Pb8 S72 Tl8 -","8","1","","Takeuchi, Y.; Ghose, S.; Nowacki, W.","The crystal structure of hutchinsonite, (Tl,Pb)2As5S9","Zeitschrift fur Kristallographie","1965","121","","321","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008109","7.371","","7.73","","6.912","","106.23","","111.45","","100","","334.757","","","","","","","","","","","","","5","P -1","-P 1","2","","","Dalyite","- K1.7 Na0.3 O15 Si6 Zr -","- K1.7 Na0.3 O15 Si6 Zr -","- K1.7 Na0.3 O15 Si6 Zr -","1","0.5","","Fleet, S. G.","The crystal structure of dalyite","Zeitschrift fur Kristallographie","1965","121","","349","368","10.1524/zkri.1965.121.5.349","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008110","4.978","","4.978","","6.948","","90","","90","","90","","172.175","","","","","","","","","","","","Ellora, Hyderabad, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Dollase, W. A.","Reinvestigation of the structure of low cristobalite","Zeitschrift fur Kristallographie","1965","121","","369","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008111","5.462","","8.436","","4.529","","90","","90","","90","","208.685","","","","","","","","","","","","","3","P n m n","-P 2n 2n","58","","","","- B2 Co3 O6 -","- B2 Co3 O6 -","- B4 Co6 O12 -","2","0.25","","Newnham, R. E.; Redman, M. J.; Santoro, R. P.","Neutron-diffraction study of Co3B2O6","Zeitschrift fur Kristallographie","1965","121","","418","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008112","8.968","","8.968","","2.693","","90","","90","","90","","216.585","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Ga5 V2 -","- Ga5 V2 -","- Ga10 V4 -","2","0.125","","Reddy, J. M.; Storm, A. R.; Knox, K.","The crystal structure of V2Ga5","Zeitschrift fur Kristallographie","1965","121","","441","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""