# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-07T17:40:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 291 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
"1000065","2.46","","2.46","","33.45","","90","","90","","120","","175.3","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Graphite nitrate","Carbon","","- C -","- C -","- C12 -","12","0.333333","","Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.","Order-disorder transformations in graphite nitrates","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences","1966","291","1426","324","339","10.1098/rspa.1966.0098","","","","","","","","","","","","","","","","","","","","","has coordinates","297742","2025-02-14","14:18:16",""
"1514084","3.142","","3.142","","7.65","","90","","90","","120","","65.404","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Dilithium Peroxide","","- Li2 O2 -","- Li2 O2 -","- Li4 O4 -","2","0.0833333","","Föppl, H.","Die Kristallstrukturen der Alkaliperoxyde","Zeitschrift für anorganische und allgemeine Chemie","1957","291","1-4","12","50","10.1002/zaac.19572910104","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1521209","9.3249","","5.4133","","9.3415","","90","","109.106","","90","","445.57","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Zr V2 D1.94","","- D1.94 V2 Zr -","- D1.94 V2 Zr -","- D15.52 V16 Zr8 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521210","9.3564","","5.4265","","9.3709","","90","","109.205","","90","","449.306","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Zr V2 D2.18","","- D2.18 V2 Zr -","- D2.179 V2 Zr -","- D17.432 V16 Zr8 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521211","9.2301","","5.3616","","9.2448","","90","","109.043","","90","","432.47","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Hf V2 D1.922","","- D1.922 Hf V2 -","- D1.922 Hf V2 -","- D15.376 Hf8 V16 -","8","2","","Irodova, A.V.; Suard, E.","Evolution of hydrogen superstructure with k = (1/2,1/2,1/2) in Zr V2 D2+d, -0.8<d<0.2","Journal of Alloys Compd.","1999","291","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521359","9.176","","9.176","","9.176","","90","","90","","90","","772.61","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sr0.935 Fe4 Sb12","","- Fe4 Sb12 Sr0.935 -","- Fe4 Sb12 Sr0.935 -","- Fe8 Sb24 Sr1.87 -","2","0.0416667","","Kaiser, J.W.; Jeitschko, W.","The antimony-rich parts of the ternary systems calcium, strontium, barium and cerium with iron and antimony; structure refinements of the (La Fe4 Sb12)-type compounds Sr Fe4 Sb12 and Ce Fe4 Sb12; the new compounds Ca Os4 Sb12 and Yb Os4 Sb12","Journal of Alloys Compd.","1999","291","","66","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","141568","2020-10-21","18:00:00",""
"1521360","9.126","","9.126","","9.126","","90","","90","","90","","760.049","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ce0.892 Fe4 Sb12 -","- Ce0.892 Fe4 Sb12 -","- Ce1.784 Fe8 Sb24 -","2","0.0416667","","Kaiser, J.W.; Jeitschko, W.","The antimony-rich parts of the ternary systems calcium, strontium, barium and cerium with iron and antimony; structure refinements of the (La Fe4 Sb12)-type compounds Sr Fe4 Sb12 and Ce Fe4 Sb12; the new compounds Ca Os4 Sb12 and Yb Os4 Sb12","Journal of Alloys Compd.","1999","291","","66","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521764","20.133","","5.6006","","9.4344","","89.625","","105.583","","89.509","","1024.61","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Pb8 (Fe Fe2 F24)","","- F24 Fe3 Pb8 -","- F24 Fe3 Pb8 -","- F48 Fe6 Pb16 -","2","","","Pierrard, A.; Gredin, P.; Dupont, N.; de Kozak, A.; Bouree-Vigneron, F.; Rosenman, I.; Andre, G.","Magnetic structure and properties of Pb8 Fe(II) Fe(III)2 F24 : a 1-D ferrimagnetic chain compound exhibiting a spin-flop transition","Journal of Alloys Compd.","1999","291","","44","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522108","7.964","","7.964","","4.095","","90","","90","","120","","224.93","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Er4 (Ga1.355 Ge5.645)","","- Er4 Ga1.355 Ge5.645 -","- Er4 Ga1.3545 Ge5.6455 -","- Er4 Ga1.3545 Ge5.6455 -","1","0.0833333","","Venturini, G.; Verniere, A.; Malaman, B.","Evolution of the non-stoichiometry in the Er (Ge1-x Gax)2 compounds. Crystal structure of Er4 (Ge, Ga)7, a new hexagonal Al B2 derivative","Journal of Alloys Compd.","1999","291","","201","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","142328","2020-10-21","18:00:00",""
"1522322","12.098","","12.098","","14.379","","90","","90","","90","","2104.53","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","La4 S3 (Si2 O7)","","- La4 O7 S3 Si2 -","- La4 O7 S3 Si2 -","- La32 O56 S24 Si16 -","8","0.25","","Zeng, H.-Y.; Mao, J.-G.; Huang, J.-S.","Synthesis and crystal structure of La4 S3 Si2 O7","Journal of Alloys Compd.","1999","291","","89","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","142544","2020-10-21","18:00:00",""
"1524372","6.87","","6.87","","6.87","","90","","90","","90","","324.243","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Zr -","- Cu5 Zr -","- Cu20 Zr4 -","4","0.0416667","","Forey, P.; Glimois, J.L.; Feron, J.L.; Develey, G.; Becle, C.","Preparation, identification et structure cristalline de Cu5 Zr","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1980","291","","177","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541158","9.223","","9.223","","19.941","","90","","90","","120","","1469","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ga2 (Se O3)3 (H2 O)3","","- Ga2 H6 O12 Se3 -","- Ga2 H6 O12 Se3 -","- Ga12 H36 O72 Se18 -","6","0.333333","","Rastsvetaeva, R.K.; Volodina, A.N.; Andrianov, V.I.","Crystal sructure of Ga2 (Se O3)3 (H2 O)3","Doklady Akademii Nauk SSSR","1986","291","","352","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541795","2.46","","2.46","","53.5","","90","","90","","120","","280.385","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- C -","- C -","- C24 -","24","0.666667","","Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.","Order-disorder transformations in graphite nitrates","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences","1966","291","1426","324","339","10.1098/rspa.1966.0098","","","","","","","","","","","","","","","","","","","","","has coordinates","297742","2025-02-14","14:18:18",""
"6000231","11.0859","","11.0859","","11.0859","","90","","90","","90","","1362.43","","","","","","","","","","","","","3","F d -3 m","","","","","","- Fe3 Mo3 N -","","","","","","Jackson, S. K.; Layland, R. C.; zur Loye, H. C.","The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors","Journal of Alloys and Compounds","1999","291","","94","101","10.1016/S0925-8388(99)00484-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000232","11.027","","11.027","","11.027","","90","","90","","90","","1340.83","","","","","","","","","","","","","3","F d -3 m","","","","","","- Co3 Mo3 N -","","","","","","Jackson, S. K.; Layland, R. C.; zur Loye, H. C.","The simultaneous powder X-ray and neutron diffraction refinement of two eta-carbide type nitrides, Fe3Mo3N and Co3Mo3N, prepared by ammonolysis and by plasma nitridation of oxide precursors","Journal of Alloys and Compounds","1999","291","","94","101","10.1016/S0925-8388(99)00484-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""