# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-06-19T21:13:13+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (year = 1977 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 "1000157","8.993","0.001","8.993","0.001","5.003","0.001","90","","90","","120","","350.4","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","MANGANESE SODIUM HEXAFLUOROCHROMATE(III)","","- Cr F6 Mn Na -","- Cr F6 Mn Na -","- Cr3 F18 Mn3 Na3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","La structure cristalline de Na Mn Cr F~6~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1405","1408","10.1107/S0567740877006177","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000158","8.586","0.005","6.291","0.003","7.381","0.004","90","","115.46","0.07","90","","360","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","MANGANESE CATENA-PENTAFLUOROCHROMATE(III)","","- Cr F5 Mn -","- Cr F5 Mn -","- Cr4 F20 Mn4 -","4","0.5","","Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A","La structure cristalline de Mn Cr F~5~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1409","1413","10.1107/S0567740877006189","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001005","7.51","0.02","7.51","0.02","43.29","0.04","90","","90","","120","","2114.5","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Niobium thallium oxide hydrate (33/10.5/88.5/1.5)","","- H3 Nb33 O90 Tl10.5 -","- H54.75 Nb33 O90 Tl10.74 -","- H54.75 Nb33 O90 Tl10.74 -","1","0.0277778","","Gasperin, M","Synthese d'une nouvelle famille d'oxydes doubles: A~8~^+^ B~22~^5+^ O~59~ structure du compose a thallium et niobium","Acta Crystallographica B (24,1968-38,1982)","1977","33","","398","402","10.1107/S0567740877003744","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001006","8.775","0.005","8.775","0.005","3.897","0.001","90","","90","","120","","259.9","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Diboron tripotassium tritantalum oxide","","- B2 K3 O12 Ta3 -","","","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00","" "1001007","8.753","0.005","8.753","0.005","3.966","0.001","90","","90","","120","","263.1","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001008","34.01","","34.01","","3.966","0.001","90","","90","","120","","3972.8","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B32 K48 Nb48 O192 -","16","2.66667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001009","35.292","0.005","17.943","0.005","7.746","0.001","90","","90","","90","","4905.1","","","","","","","","","","","","","3","B b 21 m","B -2 -2b","36","","Lead diniobium oxide","","- Nb2 O6 Pb -","- Nb2 O6 Pb -","- Nb80 O240 Pb40 -","40","5","","Labbe, P; Frey, M; Raveau, B; Monier, J C","Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2201","2212","10.1107/S0567740877008012","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001010","7.551","0.004","13.005","0.006","7.734","0.004","90","","90","","90","","759.5","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","NIOBIUM THALLIUM OXIDE (3.1/1/8.2)","","- Nb3.09 O8.22 Tl -","- Nb3.09 O8.222 Tl -","- Nb12.36 O32.888 Tl4 -","4","0.5","","Gasperin, M","Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2306","2308","10.1107/S0567740877008309","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001011","8.164","0.005","8.164","0.005","4.016","0.005","90","","90","","120","","231.8","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","CALCIUM BROMIDE HEXAHYDRATE","","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","1","0.166667","","Leclaire, A; Borel, M M","Le dichlorure et le dibromure de calcium hexahydrates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2938","2940","10.1107/S0567740877009881","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001012","","","","","","","","","","","","","","","","","","","","","","","","","","4","","","","","calcium nitrate dihydrate","","- Ca H4 N2 O8 -","","","","","","Leclaire, A.; Monier, J.-C.","Transformation orientee de l'hydrate (H~2~O)~2~ β en hydrate (H~2~O)~2~ α du nitrate de calcium. Interpretation structurale des formes cristallines des deux hydrates","Acta Crystallographica, Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography","1977","33","5","717","722","10.1107/S0567739477001843","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11","" "1001013","7.529","0.004","7.529","0.004","8.194","0.008","90","","90","","120","","402.3","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Niobium rubidium titanium oxide (6/2/1/18)","","- Nb6 O18 Rb2 Ti -","- Nb5.999 O18 Rb2 Ti1.001 -","- Nb5.999 O18 Rb2 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001014","7.512","0.004","7.512","0.004","8.231","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium tantalum titanium oxide (2/6/1/18)","","- O18 Rb2 Ta6 Ti -","- O18 Rb2 Ta5.999 Ti1.001 -","- O18 Rb2 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001015","7.533","0.004","7.533","0.004","8.189","0.008","90","","90","","120","","402.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium niobium titanium oxide (2/6/1/18)","","- Cs2 Nb6 O18 Ti -","- Cs2 Nb5.999 O18 Ti1.001 -","- Cs2 Nb5.999 O18 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001016","7.513","0.004","7.513","0.004","8.227","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium tantalum titanium oxide (2/6/1/18)","","- Cs2 O18 Ta6 Ti -","- Cs2 O18 Ta5.999 Ti1.001 -","- Cs2 O18 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001017","7.486","0.002","7.486","0.002","43.1","0.01","90","","90","","120","","2091.7","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Rubidium niobium tungsten oxide (12/30/3/90)","","- Nb30 O90 Rb12 W3 -","- Nb29.997 O90 Rb12 W3.003 -","- Nb29.997 O90 Rb12 W3.003 -","1","0.0277778","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A~12~ M~33~ O~90~ et A~12~ M~33~ O~90~ (H~2~ O)~12~","Journal of Solid State Chemistry","1977","22","","393","403","10.1016/0022-4596(77)90016-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001031","5.351","","9.262","","15.03","","90","","96.83","","90","","739.6","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","Aluminium calcium iron iron(III) magnesium titanium silicate hydroxide hydrate *","","- Al3.36 Ca0.86 Fe0.41 H16.74 Mg4.04 O30.42 Si5.53 Ti0.08 -","- Al3.36 Ca0.86 Fe0.414 H4.16 Mg4.044 O30.32 Si5.528 Ti0.084 -","- Al3.36 Ca0.86 Fe0.414 H4.16 Mg4.044 O30.32 Si5.528 Ti0.084 -","1","0.125","","de la Calle, C; Pezerat, H; Gasperin, M","Problemes d'ordre-desordre dans les vermiculites structure du mineral calcique hydrate a 2 couches","Journal de Physique (Paris), Colloque.","1977","38","","128","133","","","","","","","0.168","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001274","9.047","","9.047","","7.81","","90","","90","","120","","553.6","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","POTASSIUM BARIUM SILICOTANTALATE *","","- Ba K4 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0