# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-02T03:23:45+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 'Materials Research Bulletin') AND volume = 25 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
"1000146","12.046","0.006","6.984","0.004","7.093","0.004","90","","125.04","0.04","90","","488.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium tris(tetrafluoroaluminate)","","- Al3 F12 Na Rb2 -","- Al3 F12 Na Rb2 -","- Al6 F24 Na2 Rb4 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000147","11.882","0.007","6.983","0.004","6.942","0.004","90","","125.59","0.03","90","","670.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dipotassium sodium tris(tetrafluoroaluminate)","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al6 F24 K4 Na2 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000290","5.4146","0.0001","5.3757","0.0001","7.6199","0.0002","90","","90","","90","","221.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000291","5.4294","0.0001","5.3849","0.0001","7.6362","0.0002","90","","90","","90","","223.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000292","5.4456","0.0001","5.3952","0.0001","7.652","0.0002","90","","90","","90","","224.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000293","5.4577","0.0001","5.4577","0.0001","13.1058","0.0003","90","","90","","120","","338.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000294","5.4614","0.0001","5.4614","0.0001","13.1319","0.0002","90","","90","","120","","339.2","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000468","5.168","0.002","5.168","0.002","13.438","0.005","90","","90","","120","","310.8","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Vanadium(III) fluoride","","- F3 V -","- F3 V -","- F18 V6 -","6","0.166667","","Daniel, P; Bulou, A; Leblanc, M; Rousseau, M; Nouet, J","Structural and vibrational study of V F3","Materials Research Bulletin","1990","25","","413","420","10.1016/0025-5408(90)90175-2","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001450","13.4454","0.001","14.8114","0.0011","6.4422","0.0007","90","","90","","90","","1282.9","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Caesium niobium phosphate (1/3/3)","","- Cs Nb3 O15 P3 -","- Cs Nb3 O15 P3 -","- Cs4 Nb12 O60 P12 -","4","0.5","","Borel, M M; Grandin, A; Costentin, G; Leclaire, A; Raveau, B","A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure","Materials Research Bulletin","1990","25","","1155","1160","10.1016/0025-5408(90)90145-R","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001451","4.8229","0.0002","8.0813","0.0005","6.9419","0.0006","90","","109.387","0.005","90","","255.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium iron(III) diphosphate","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Riou, D; Nguyen, N; Benloucif, R; Raveau, B","LiFeP~2~O~7~: Structure and magnetic properties","Materials Research Bulletin","1990","25","","1363","1369","10.1016/0025-5408(90)90218-Q","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1513960","8.174","0.001","8.174","0.001","8.174","0.001","90","","90","","90","","546.14","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.83/1.76/4)","","- Li0.83 Mn1.76 O4 -","- Li0.83 Mn1.76 O4 -","- Li6.64 Mn14.08 O32 -","8","0.0416667","","de Kock, A.; Rossouw, M. H.; de Picciotto, L. A.; Thackeray, M. M.; David, W. I. F.; Ibberson, R. M.","Defect spinels in the system Li2 O * y(Mn O2) (y>2.5): A neutron- diffraction study and electrochemical characterization of Li2 Mn4 O9","Materials Research Bulletin","1990","25","","657","664","10.1016/0025-5408(90)90032-W","","","","","","0.0236","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1534402","3.9658","","3.9658","","4.9771","","90","","90","","90","","78.278","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb.937 Ti.063 O1.063","","- O1.063 Pb0.937 Ti0.063 -","- O1.063 Pb0.937 Ti0.063 -","- O2.126 Pb1.874 Ti0.126 -","2","0.125","","Garnier, P.; Gavarri, J.R.; Moreau, J.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534820","11.2372","","11.2372","","11.2372","","90","","90","","90","","1418.97","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Mn Br4","","- Br4 Li2 Mn -","- Br4 Li2 Mn -","- Br32 Li16 Mn8 -","8","0.0416667","","Lutz, H.D.; Cockcroft, J.K.; Kuske, P.; Schneider, M.","Polymorphism of the fast ionic conductor Li2 Mn Br4 - Neutron diffraction and differential scanning calorimetry","Materials Research Bulletin","1990","25","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534822","5.6731","","5.6731","","5.6731","","90","","90","","90","","182.583","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 (Mn Br4)","","- Br4 Li2 Mn -","- Br4 Li2 Mn -","- Br4 Li2 Mn -","1","0.00520833","","Lutz, H.D.; Cockcroft, J.K.; Kuske, P.; Schneider, M.","Polymorphism of the fast ionic conductor Li2 Mn Br4 - Neutron diffraction and differential scanning calorimetry","Materials Research Bulletin","1990","25","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535174","23.216","","5.806","","23.031","","90","","90","","90","","3104.4","","","","","","","","","","","","","3","B b 2 b","B -2b -2b","37","","(La S)1.14 (Nb S2)","","- La1.14 Nb S3.14 -","- La1.14286 Nb S3.14286 -","- La32 Nb28 S88 -","28","3.5","","Meerschaut, A.; Rabu, P.; Monceau, P.; Rouxel, J.; Smontara, A.","Structural investigation of (La S)1.14 Nb S2 and resistivity measurements","Materials Research Bulletin","1990","25","","855","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","208255","2020-10-21","18:00:00",""
"1535508","5.038","","5.038","","5.038","","33.5","","33.5","","33.5","","34.694","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.68 Ni1.32 O2 -","- Li0.68 Ni1.32 O2 -","- Li0.68 Ni1.32 O2 -","1","0.0833333","","Morales, J.; Perez-Vicente, C.; Tirado, J.L.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535512","5.039","","5.039","","5.039","","33.11","","33.11","","33.11","","33.981","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.65 Ni1.08 O2 -","- Li0.65 Ni1.08 O2 -","- Li0.65 Ni1.08 O2 -","1","0.0833333","","Morales, J.; Tirado, J.L.; Perez-Vicente, C.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535516","5.0515","","5.0515","","5.0515","","33.01","","33.01","","33.01","","34.046","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.51 Ni1.16 O2 -","- Li0.51 Ni1.16 O2 -","- Li0.51 Ni1.16 O2 -","1","0.0833333","","Morales, J.; Tirado, J.L.; Perez-Vicente, C.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535806","3.8647","","3.8647","","19.941","","90","","90","","90","","297.837","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La2 Sr Cu2 O6.03","","- Cu2 La2 O6.03 Sr -","- Cu2 La2 O6.0057 Sr -","- Cu4 La4 O12.0114 Sr2 -","2","0.0625","","Caignaert, V.; Nguyen, N.; Raveau, B.","La2 Sr Cu2 O6: Neutron diffraction study","Materials Research Bulletin","1990","25","","199","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535994","21.05","","21.05","","9.258","","90","","90","","120","","3552.65","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba Cu5.65 S4.5 -","- Ba Cu5.6517 S4.5 -","- Ba18 Cu101.731 S81 -","18","1","","Chang, J.S.; Wang, Y.; Hong, H.Y.-P.; Lee, G.H.","Crystal structure and electric conductiviy of Ba Cu5.65 S4.5","Materials Research Bulletin","1990","25","","863","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537011","5.599","","5.599","","23.657","","90","","90","","90","","741.619","","","","","","","","","","","","","2","P -4 m 2","P -4 -2","115","","Al Al1.67 O4","","- Al2.67 O4 -","- Al2.666 O4 -","- Al31.992 O48 -","12","1.5","","Repelin, Y.; Husson, E.","Etudes structurales d'alumines de transition. I - Alumines gamma et delta","Materials Research Bulletin","1990","25","","611","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","164960","2020-10-21","18:00:00",""
"1537042","5.664","","10.223","","3.404","","90","","91.52","","90","","197.033","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd2 O (O H)2 (H2 O)","","- Cd2 H4 O4 -","- Cd2 H4 O4 -","- Cd4 H8 O8 -","2","0.5","","Riou, A.; Gerault, Y.; Cudennec, Y.","Etude structurale de gamma-Cd (O H)2 ou Cd2 O (O H)2 (H2 O)","Materials Research Bulletin","1990","25","","987","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537225","3.3053","","3.3053","","17.43239","","90","","90","","120","","164.934","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn Ta S2","","- S2 Sn Ta -","- S2 Sn Ta -","- S4 Sn2 Ta2 -","2","0.0833333","","van der Lee, A.; Wiegers, G.A.","Single crystal x-ray study of Sn Ta S2 at 295 and 425 K","Materials Research Bulletin","1990","25","","1011","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537269","3.9679","","3.9679","","4.9894","","90","","90","","90","","78.554","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb0.952 Ti0.048 O1.048","","- O1.048 Pb0.952 Ti0.048 -","- O1.048 Pb0.952 Ti0.048 -","- O2.096 Pb1.904 Ti0.096 -","2","0.125","","Garnier, P.; Moreau, J.; Gavarri, J.R.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537271","14.525","","14.525","","5.943","","90","","90","","90","","1253.83","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cs.132 Ti O2","","- Cs0.132 O2 Ti -","- Cs0.1319 O2 Ti -","- Cs4.2208 O64 Ti32 -","32","2","","Latroche, M.; Brohan, L.; Marchand, R.; Tournoux, M.","Csx Ti O2 bronzes with hollandite structure: cationic ordering and physical properties","Materials Research Bulletin","1990","25","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537272","3.967","","3.967","","4.9838","","90","","90","","90","","78.431","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb.941 Ti.059 O1.059","","- O1.059 Pb0.941 Ti0.059 -","- O1.059 Pb0.941 Ti0.059 -","- O2.118 Pb1.882 Ti0.118 -","2","0.125","","Garnier, P.; Moreau, J.; Gavarri, J.R.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""