# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:43:40+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 'Molecular Crystals and Liquid Crystals') 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
"1513977","9.834","0.001","2.7846","0.0005","10.191","0.001","90","","92.27","","90","","278.85","0.06","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Lithium Manganese Oxide (2.7/6.6/16)","Hollandite, lithian","- Li2.72 Mn6.64 O16 -","- Mn6.64 O16 -","- Mn6.64 O16 -","1","0.125","","Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G.","Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase","Molecular Crystals and Liquid Crystals","1994","244","","233","238","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1525553","2.8899","","2.8899","","14.1938","","90","","90","","120","","102.659","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Li0.744 Ni0.256) (Li0.18 Ni0.82) O2","","- Li0.924 Ni1.076 O2 -","- Li0.924 Ni1.076 O2 -","- Li2.772 Ni3.228 O6 -","3","0.0833333","","Akimoto, J.; Gotoh, Y.","Single crystal growth, structure and physical property of Li Co O2 and Li Ni O2","Molecular Crystals and Liquid Crystals","2000","341","","143","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","146564","2020-10-21","18:00:00",""
"1525896","7.81935","","7.83789","","7.91329","","90","","90","","90","","484.983","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- La0.333 Nb O3 -","- La0.3335 Nb O3 -","- La2.668 Nb8 O24 -","8","0.5","","Dilanian, R.A.; Yamamoto, A.; Kamiyama, T.; Izumi, F.","Crystal structures and resistivities of La1/3 Lix Nb O3","Molecular Crystals and Liquid Crystals","2000","341","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525897","7.82325","","7.84208","","7.91954","","90","","90","","90","","485.868","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","","","- La0.333 Li0.075 Nb O3 -","- La0.3335 Li0.075 Nb O3 -","- La2.668 Li0.6 Nb8 O24 -","8","0.5","","Dilanian, R.A.; Yamamoto, A.; Kamiyama, T.; Izumi, F.","Crystal structures and resistivities of La1/3 Lix Nb O3","Molecular Crystals and Liquid Crystals","2000","341","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526189","10.949","","10.949","","10.949","","90","","90","","90","","1312.57","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Ootoshi, H.; Fujiwara, A.; Ishii, K.; Matsuoka, Y.; Watanuki, T.; Suematsu, H.","Crystal structure of europium C60 compounds","Molecular Crystals and Liquid Crystals","2000","340","","565","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","147320","2020-10-21","18:00:00",""
"1526465","3.82484","","15.5439","","2.9737","","90","","90","","90","","176.795","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","K0.8 Ti1.733 Li0.267 O4 (H2 O)0.112","","- H0.224 K0.8 Li0.267 O4.112 Ti1.733 -","- K0.8 Li0.266 O4.112 Ti1.734 -","- K1.6 Li0.532 O8.224 Ti3.468 -","2","0.125","","Izumi, F.; Ikeda, T.; Sasaki, T.; Kumazawa, S.","Disordered distribution of K(+) ions interlayered in Kx Ti2-x/3 Lix/3 O4 (x = 0.8)","Molecular Crystals and Liquid Crystals","2000","341","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","147657","2020-10-21","18:00:00",""
"1526797","3.4146","","3.4146","","5.8552","","90","","90","","120","","59.122","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.375 Ti S2","","- Cu0.375 S2 Ti -","- Cu0.3752 S2 Ti -","- Cu0.3752 S2 Ti -","1","0.0833333","","Kusawake, T.; Takahashi, Y.; Ohshima, K.I.","Structural analysis of the layered compounds Cux Ti S2","Molecular Crystals and Liquid Crystals","2000","341","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541286","5.471","","5.5078","","16.194","","90","","90","","90","","487.977","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Pb2 Ba2 Y Cu3 O8","","- Ba2 Cu3 O8 Pb2 Y -","- Ba2 Cu3 O8 Pb2 Y -","- Ba4 Cu6 O16 Pb4 Y2 -","2","0.125","","Nakabayashi, Y.; Imoto, S.; Hibiya, T.; Satoh, T.; Kubo, Y.","Synthesis and electrical properties of Pb2Ba2(Y1xCax)Cu3O8+y","Molecular Crystals and Liquid Crystals","1990","184","","171","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""