# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-11-01T00:34:08+01:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (year = 1987 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 "1000077","7.276","0.002","12.48","0.003","7.364","0.002","90","","90","","90","","668.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Chromium fluoride ammonia *","","- Cr F3 H0.0999 N0.0333 -","- Cr F3 H0.1 N0.0333333 -","- Cr12 F36 H1.2 N0.4 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06","" "1000078","7.425","0.009","12.835","0.017","7.563","0.002","90","","90","","90","","720.8","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Vanadium(III) fluoride (0.03/1/3)","","- F3 H0.0801 N0.0267 V -","- F3 H0.08 N0.0266667 V -","- F36 H0.96 N0.32 V12 -","12","0.75","","de Pape, R; Le Bail, A; Lubin, F; Ferey, G","Les varietes ""bronze de tungstene hexagonal"" des trifluorures CrF~3~ et VF~3~","Revue de Chimie Minerale","1987","24","","545","551","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:09","" "1000155","5.409","0.002","5.409","0.002","8.6","0.001","90","","90","","120","","217.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/7)","","- D7 La Ni5 -","- D7 La Ni5 -","- D14 La2 Ni10 -","2","0.166667","","Lartigue, C; Le Bail, A; Percheron Guegan, A","A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data","Journal of the Less-Common Metals","1987","129","","65","76","10.1016/0022-5088(87)90034-8","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000156","5.409","0.002","5.409","0.002","8.6","0.001","90","","90","","120","","217.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Lanthanum nickel deuteride (1/5/7)","","- D7 La Ni5 -","- D7 La Ni5 -","- D14 La2 Ni10 -","2","0.166667","","Lartigue, C; Le Bail, A; Percheron Guegan, A","A new study of the structure of La Ni5 D6.7 using a modified Rietveld method for the refinement of neutron powder diffraction data","Journal of the Less-Common Metals","1987","129","","65","76","10.1016/0022-5088(87)90034-8","","","","","","0.0718","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000220","16.982","0.003","11.372","0.002","7.663","0.001","90","","101.47","0.01","90","","1450.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium copper(II) iron fluoride (7/1/6/34)","","- Ba7 Cu F34 Fe6 -","- Ba7 Cu F34 Fe6 -","- Ba14 Cu2 F68 Fe12 -","2","0.25","","Renaudin, J; Ferey, G; Kozak, A de; Samouel, M","Fluorures complexes de cuivre(II). VI. Structure cristalline de Ba~7~ Cu Fe~6~ F~34~","Revue de Chimie Minerale","1987","24","","295","304","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000221","3.6587","","3.6587","","6.4378","","90","","90","","90","","86.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000222","3.6492","","3.6492","","6.4137","","90","","90","","90","","85.4","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Thallium aluminium tetrafluoride - phase I","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F~4~: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0272","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000227","7.5635","0.0002","10.901","0.001","6.7319","0.0002","90","","90","","90","","555","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Manganese iron pentafluoride bis(hydrate)","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.25","","Laligant, Y; Pannetier, J; Leblanc, M; Labbe, P; Heger, G; Ferey, G","Crystal structure refinement of the inverse weberite Mn Fe F~5~ (H~2~ O)~2~","Zeitschrift fuer Kristallographie (149,1979-)","1987","181","","1","10","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000229","6.182","0.002","6.182","0.002","12.957","0.002","90","","90","","120","","428.8","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Silver indium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 In0.5 P S3 -","- Ag0.5 In0.5 P S3 -","- Ag2 In2 P4 S12 -","4","0.333333","","Ouili, Z; Leblanc, A; Colombet, P","Crystal structure of a new Lamellar compound Ag~.5~ In~.5~ P S~3~","Journal of Solid State Chemistry","1987","66","","86","94","10.1016/0022-4596(87)90223-4","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000230","7.475","0.001","10.766","0.001","6.594","0.001","90","","90","","90","","530.7","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Manganese iron(III) fluoride dihydrate","","- F5 Fe H4 Mn O2 -","- F5 Fe H4 Mn O2 -","- F20 Fe4 H16 Mn4 O8 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0374","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000231","7.451","0.001","10.747","0.001","6.524","0.001","90","","90","","90","","522.4","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Zinc iron(III) fluoride dihydrate","","- F5 Fe H4 O2 Zn -","- F5 Fe H4 O2 Zn -","- F20 Fe4 H16 O8 Zn4 -","4","0.5","","Laligant, Y; Pannetier, J; Ferey, G","Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F~5~ (H~2~ O)~2~ and Mn Fe F~5~ (H~2~ O)~2~ at 1.5K from powder neutron diffraction","Journal of Solid State Chemistry","1987","66","","242","250","10.1016/0022-4596(87)90193-9","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1000237","7.183","0.001","10.224","0.001","7.414","0.001","90","","90","","90","","544.5","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Disodium nickel chromium fluoride","","- Cr F7 Na2 Ni -","- Cr F7 Na2 Ni -","- Cr4 F28 Na8 Ni4 -","4","0.25","","Laligant, Y; Ferey, G; Heger, G; Pannetier, J","Refinement of the crystal and frustrated magnetic structures of the direct weberite Na~2~ Ni Cr F~7~ by neutron powder diffraction","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","163","171","10.1002/zaac.19875531019","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000284","13.207","0.002","5.68","0.002","10.321","0.002","90","","90","","90","","774.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium diyttrium copper platinum(IV) oxide","","- Ba2 Cu O8 Pt Y2 -","- Ba2 Cu O8 Pt Y2 -","- Ba8 Cu4 O32 Pt4 Y8 -","4","0.5","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~","Europhysics Letters","1987","4","","1023","1029","10.1209/0295-5075/4/9/012","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000407","5.1418","0.0001","5.1418","0.0001","12.807","0.0002","90","","90","","90","","338.6","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Thallium tetrafluoroaluminate - II","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.125","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0298","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000408","5.1376","0.0002","5.1301","0.0001","12.7822","0.0003","90","","90.119","0.002","90","","336.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000409","5.1138","0.0002","5.0912","0.0002","12.6878","0.0006","90","","90.289","0.007","90","","330.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000410","5.101","0.0003","5.0745","0.0003","12.6324","0.0007","90","","90.355","0.008","90","","327","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0463","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000413","14.13","0.005","14.13","0.005","14.13","0.005","90","","90","","90","","2821.2","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoroferrate(III)","","- C3 H18 F6 Fe N9 -","- C3 H18 F6 Fe N9 -","- C24 H144 F48 Fe8 N72 -","8","0.333333","","Fourquet, J L; Plet, F; Calage, Y; DePape, R","Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6","Journal of Solid State Chemistry","1987","69","","76","80","10.1016/0022-4596(87)90012-0","","","","","","0.0409","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11","" "1001338","7.43","0.001","8.7","0.001","10.668","0.002","90","","105.08","0.01","90","","665.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium niobium uranium hexaoxide","","- Cs Nb O6 U -","- Cs Nb O6 U -","- Cs4 Nb4 O24 U4 -","4","1","","Gasperin, M","Synthese et structure du niobouranate de cesium:CsNbUo~6~","Acta Crystallographica C (39,1983-)","1987","43","","404","406","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001344","14.584","0.002","8.416","0.001","14.18","0.001","90","","110.05","0.06","90","","1635","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenum(III) silicophosphate","","- Mo O11 P3 Si -","- Mo O11 P3 Si -","- Mo8 O88 P24 Si8 -","8","1","","Leclaire, A; Raveau, B","Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III)","Journal of Solid State Chemistry","1987","71","","283","290","10.1016/0022-4596(87)90235-0","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001345","12.504","0.003","4.183","0.001","10.453","0.003","90","","122.18","0.03","90","","462.7","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Uranium borate *","","- B2 O6 U -","- B2 O6 U -","- B8 O24 U4 -","4","0.5","","Gasperin, M","Structure du borate d'uranium U B~2~ O~6~","Acta Crystallographica C (39,1983-)","1987","43","","2031","2033","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001347","16.512","0.003","8.169","0.002","6.582","0.001","90","","96.97","0.03","90","","881.3","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Calcium diboron diuranium decaoxide","","- B2 Ca O10 U2 -","- B2 Ca O10 U2 -","- B8 Ca4 O40 U8 -","4","1","","Gasperin, M","Synthese et structure du borouranate de calcium: Ca B~2~ U~2~ O~10~.","Acta Crystallographica C (39,1983-)","1987","43","","1247","1250","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001354","7.4314","0.0003","7.4314","0.0003","7.4314","0.0003","90","","90","","90","","410.4","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","Lithium copper titanium niobium oxide (1.33/2.67/2.67/1.33/12)","","- Cu2.67 Li1.33 Nb1.33 O12 Ti2.67 -","- Cu2.67 Li1.29 Nb1.32 O12 Ti2.68 -","- Cu5.34 Li2.58 Nb2.64 O24 Ti5.36 -","2","0.0416667","","Mouron, P; Choisnet, J","New substituted copper titanates with the Ca Cu~3~ Ti~4~ O~12~ structure: Li (Cu~3-x~ Li~x~) (Ti~3-x~ M~1+x~) O~12~ (M(V)=Nb: 12