# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-30T05:48:31+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 = 21 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
"1000228","10.325","0.002","10.325","0.002","10.325","0.002","90","","90","","90","","1100.7","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Iron trifluoride","","- F3 Fe -","- F3 Fe -","- F48 Fe16 -","16","0.0833333","","De Pape, R; Ferey, G","A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry, crystal structure, thermal transitions and structural correlations with the other forms of Fe F~3~","Materials Research Bulletin","1986","21","","971","978","10.1016/0025-5408(86)90134-0","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000414","5.468","0.002","5.535","0.002","12.547","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","P n c b :1","P 2 2 -1bc","50","","Dilanthanum niccolate","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.5","","Odier, P; Leblanc, M; Choisnet, J","Structural characterization of an orthorhombic form of La Ni O4","Materials Research Bulletin","1986","21","","787","796","10.1016/0025-5408(86)90163-7","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001353","6.639","0.007","8.957","0.011","21.145","0.016","90","","90","","90","","1257.4","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Barium titanium niobium oxide (1/3/4/17)","","- Ba Nb4 O17 Ti3 -","- Ba Nb4 O17 Ti3 -","- Ba4 Nb16 O68 Ti12 -","4","0.25","","Mezaoui, D; Michel, C; Groult, D; Raveau, B","A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile structure by chemical twinning","Materials Research Bulletin","1986","21","","1039","1044","10.1016/0025-5408(86)90218-7","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008633","7.455","","7.455","","7.455","","90","","90","","90","","414.3","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Neodymium copper ruthenium oxide (1/3/4/12)","","- Cu3 Nd O12 Ru4 -","- Cu3 Nd O12 Ru4 -","- Cu6 Nd2 O24 Ru8 -","2","0.0416667","","Muller, J; Haouzi, A; Laviron, C; Labeau, M; Joubert, J C","Conductivie electrique et caracterisation cristallographique des composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)","Materials Research Bulletin","1986","21","","1131","1136","10.1016/0025-5408(86)90230-8","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008702","10.2475","","10.2475","","10.2475","","90","","90","","90","","1076.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Neodymium copper ruthenium oxide (1.63/.37/2/6.63)","","- Cu0.375 Nd1.625 O6.625 Ru2 -","- Cu0.38 Nd1.62 O6.625 Ru2 -","- Cu3.04 Nd12.96 O53 Ru16 -","8","0.0416667","","Haouzi, A; Muller, J; Joubert, J C","Characterisations electrique et cristallographique des phases de type pyrochlore Nd2-y Cuy Ru2 O7-y","Materials Research Bulletin","1986","21","","1489","1493","10.1016/0025-5408(86)90089-9","","","","","","0.0254","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500041","3.921","0.002","3.921","0.002","13.175","0.005","90","","90","","90","","202.56","0.17","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba Fe La O4 -","- Ba Fe La O4 -","- Ba2 Fe2 La2 O8 -","2","0.0625","","Abbattista, F; Mazza, D; Vallino, M","Preparatiion and characterization of BaLaFeO4","Materials Research Bulletin","1986","21","","733","738","10.1016/0025-5408(86)90153-4","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","190403","2020-10-21","18:00:00",""
"1509503","10.736","","10.227","","5.8299","","90","","102.32","","90","","625.365","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag Tl (V O3)2","","- Ag O6 Tl V2 -","- Ag O6 Tl V2 -","- Ag4 O24 Tl4 V8 -","4","0.5","","Abriel, W.","Crystallographic study of Ag Tl (V O3)2 a metavanadate(V) with diopside type structure","Materials Research Bulletin","1986","21","","225","229","10.1016/0025-5408(86)90210-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509505","6.755","","10.684","","5.921","","90","","106.62","","90","","409.469","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ag V (P S3)2","","- Ag P2 S6 V -","- Ag P2 S6 V -","- Ag2 P4 S12 V2 -","2","0.5","","Ouvrard, G.; Colombet, P.; Brec, R.; Lee, S.","A new chain compound of vanadium (III): Ag1/2 V1/2 P S3 structure, metal ordering, and magnetic properties","Materials Research Bulletin","1986","21","","917","928","10.1016/0025-5408(86)90129-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529524","13.741","","13.741","","6.0199","","90","","90","","90","","1136.65","","","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","(N H4) Te F5 (H Cl).25 (H2 O).25","","- Cl0.25 F5 H4.75 N O0.25 Te -","- Cl0.25 F5 H4.75 N O0.25 Te -","- Cl2 F40 H38 N8 O2 Te8 -","8","1","","Abriel, W.; du Bois, A.","Inclusion of H Cl and H2 O in the new tunnel type structure (N H4) Te F5 (H Cl).25 (H2 O).25","Materials Research Bulletin","1986","21","","1503","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","186593","2020-10-21","18:00:00",""
"1530017","3.9091","","3.9091","","3.9091","","90","","90","","90","","59.735","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Fe.49 Ti.5 O2.61","","- Fe0.49 O2.61 Sr Ti0.5 -","- Fe0.49 O2.61 Sr Ti0.5 -","- Fe0.49 O2.61 Sr Ti0.5 -","1","0.0208333","","Greaves, C.; Buker, R.A.","The defect structure of Sr2 Fe Ti O6-x","Materials Research Bulletin","1986","21","","823","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530049","4.159","","4.159","","7.392","","90","","90","","90","","127.862","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","La O Br","","- Br La O -","- Br La O -","- Br2 La2 O2 -","2","0.125","","Haeuseler, H.; Jung, M.","Single crystal growth and structure of La O Br and Sm O Br","Materials Research Bulletin","1986","21","","1291","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530050","3.945","","3.945","","7.904","","90","","90","","90","","123.01","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Sm O Br","","- Br O Sm -","- Br O Sm -","- Br2 O2 Sm2 -","2","0.125","","Haeuseler, H.; Jung, M.","Single crystal growth and structure of La O Br and Sm O Br","Materials Research Bulletin","1986","21","","1291","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530190","8.813","","8.813","","22.8","","90","","90","","120","","1533.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na Zr1.88 (P O4)3","","- Na O12 P3 Zr1.88 -","- Na O12 P3 Zr1.8842 -","- Na6 O72 P18 Zr11.3052 -","6","0.166667","","Kohler, H.; Schulz, H.","NASICON solid electrolytes. Part II - X-ray diffraction experiments on sodium-zirconium-phosphate single crystals at 295K and at 993K","Materials Research Bulletin","1986","21","","23","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530586","23.443","","18.452","","7.149","","90","","90","","90","","3092.45","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K5 (Sb5 P2 O20)","","- K5 O20 P2 Sb5 -","- K5 O20 P2 Sb5 -","- K30 O120 P12 Sb30 -","6","0.75","","Piffard, Y.; Lachgar, A.; Tournoux, M.","A potassium phosphatoantimonate with a three dimensional framework K5 Sb5 P2 O20","Materials Research Bulletin","1986","21","","1231","1238","","","","","","","","","","","","","","","","","","","","","","has coordinates","155718","2020-10-21","18:00:00",""
"1530872","3.876","","19.093","","3.733","","90","","90","","90","","276.259","","","","","","","","","","","","","4","A 2 m m","A -2 2","35","","(Na (H2 O)2)0.25 (Mo O3)","","- H Mo Na0.25 O3.5 -","- Mo Na0.25 O3.5 -","- Mo4 Na O14 -","4","0.5","","Thomas, D.M.; McCarron, E.M.","The composition and proposed structure of the alkali metal layered molybdenum bronzes","Materials Research Bulletin","1986","21","","945","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530893","12.8947","","9.4957","","9.3477","","90","","90","","90","","1144.57","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 Fe2 (Mo O4)3","","- Fe2 Li2 Mo3 O12 -","- Fe2 Li2 Mo3 O12 -","- Fe8 Li8 Mo12 O48 -","4","0.5","","Torardi, C.C.; Prince, E.","Structure of the lithium insertion compound Li2 Fe2 (Mo O4)3 from neutron powder diffraction data","Materials Research Bulletin","1986","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","156123","2020-10-21","18:00:00",""
"1531013","11.103","","18.924","","5.572","","90","","90","","90","","1170.75","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Sr4 (Fe6 O13)","","- Fe6 O13 Sr4 -","- Fe6 O13 Sr4 -","- Fe24 O52 Sr16 -","4","0.5","","Yoshiasa, A.; Ueno, K.; Horiuchi, H.; Kanamaru, F.","Structure of Sr4 Fe6 O13, a new perovskite-derivative in the Sr-Fe-O system","Materials Research Bulletin","1986","21","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","156268","2020-10-21","18:00:00",""
"1537988","13.034","","12.958","","14.24","","90","","90","","90","","2405.06","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Re2 Te5 -","- Re2 Te5 -","- Re24 Te60 -","12","1.5","","Fedorov, V.E.; Mischenko, A.V.; Podberezskaya, N.V.","A physico-chemical characterization of the cluster-type rhenium telluride Re6 Te15","Materials Research Bulletin","1986","21","","1335","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540150","8.951","","8.647","","17.084","","90","","105.78","","90","","1272.46","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hg K Sb S3","","- Hg K S3 Sb -","- Hg K S3 Sb -","- Hg8 K8 S24 Sb8 -","8","1","","Imafuku, M.; Nakai, I.; Nagashima, K.","The crystal structure of a new synthetic sulfosalt, K Hg Sb S3","Materials Research Bulletin","1986","21","","493","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""