# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:19:56+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I b m 2' 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
"1000040","5.588","0.005","14.61","0.02","5.38","0.005","90","","90","","90","","439.2","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium aluminium iron oxide (2/0.6/1.4/5)","","- Al0.6 Ca2 Fe1.4 O5 -","- Al0.6 Ca2 Fe1.4 O5 -","- Al2.4 Ca8 Fe5.6 O20 -","4","0.5","","Colville, A A; Geller, S","Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3196","3200","10.1107/S0567740872007733","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200007","5.583","0.005","14.58","0.02","5.374","0.005","90","","90","","90","","437.4","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron aluminium oxide (2/1.3/0.7/5)","","- Al0.72 Ca2 Fe1.28 O5 -","- Al0.72 Ca2 Fe1.28 O5 -","- Al2.88 Ca8 Fe5.12 O20 -","4","0.5","","Colville, A A; Geller, S","Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3196","3200","10.1107/S0567740872007733","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1200009","5.584","0.005","14.6","0.01","5.374","0.005","90","","90","","90","","438.1","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron(III) aluminium oxide (2/1.5/0.5/5)","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A A; Geller, S","The Crystal Structure of Brownmillerite, Ca2 Fe Al O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2311","2315","10.1107/S056774087100579X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1522063","6.10476","","16.75409","","5.97253","","90","","90","","90","","610.869","","","","","","","","","","","","","3","I b m 2","I 2 -2b","46","","","","- Ba2 In2 O5 -","- Ba2 In2 O5 -","- Ba8 In8 O20 -","4","0.5","","Uchimoto, Y.; Kinuhata, M.; Takagu, H.; Yoshida, H.; Inagaki, T.; Yao, T.","Crystal structure of metal cation-doped Ba2 In2 O5 and its oxide ion conductivity","Electrochemical Society Proceedings","1999","99","","317","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2002240","5.661","","15.598","","5.531","","90","","90","","90","","488.4","","","","","","","","","","","","","3","I b m 2","I 2 -2b","46","","Distrontium diiron(III) oxide","","- Fe2 O5 Sr2 -","- Fe2 O5 Sr2 -","- Fe8 O20 Sr8 -","4","0.5","","Harder, M; Mueller-Buschbaum, Hk","Darstellung und Untersuchung von Sr2 Fe2 O5-Einkristallen. Ein Beitrag zur Kristallchemie von M2 Fe2 O5-Verbindungen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","464","","169","175","10.1002/zaac.19804640115","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002271","6.049","","15.84","","5.81","","90","","90","","90","","556.7","","","","","","","","","","","","","3","I b m 2","I 2 -2b","46","","Distrontium diindate","","- In2 O5 Sr2 -","- In2 O5 Sr2 -","- In8 O20 Sr8 -","4","0.5","","Schenck, R von; Mueller-Buschbaum, Hk","Ueber ein neues Erdalkalimetall-oxoindat: Sr2 In2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","395","","280","286","10.1002/zaac.19733950216","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4505852","3.84","0.002","12.229","0.005","15.724","0.006","90","","90","","90","","738.4","0.6","298","","298","","","","","","","","","6","I b m 2","I 2 -2b","46","","","","- C6 H4 Cl Cu N2 S -","- C6 H4 Cl Cu N2 S -","- C24 H16 Cl4 Cu4 N8 S4 -","4","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0271","0.0238","","0.0663","0.0638","","","","1.088","1.101","1.101","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"6000285","5.529","","14.542","","5.347","","90","","90","","90","","429.91","","","","","","","","","","","","","4","I b m 2","","","","","","- Al Ca2 Fe O5 -","","","","","","Landa-Canovas, A. R.; Hansen, S.","Transmission electron microscopic study of ferrite in sulfate-resisting Portland cement clinker","Cement and Concrete Research","1999","29","","679","686","10.1016/S0008-8846(99)00031-9","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7222231","5.46258","","14.9533","","5.23135","","90","","90","","90","","427.315","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Ca2 (Mn Al O5)","","- Al Ca2 Mn O5 -","- Al Ca2 Mn O5 -","- Al4 Ca8 Mn4 O20 -","4","0.5","","Wright, A.J.; Palmer, H.M.; Anderson, P.A.; Greaves, C.","Structures and magnetic ordering in the brownmillerite phases, Sr2 Mn Ga O5 and Ca2 Mn Al O5","Journal of Materials Chemistry","2002","12","","978","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104231","6.12","","15.4","","4.96","","90","","90","","90","","467.47","","","","","","","","","","","","","3","I b m 2","I 2 -2b","46","","H2 Si2 O5","","- H2 O5 Si2 -","- O5 Si2 -","- O20 Si8 -","4","0.5","","Liebau, F.","Über Kristallstrukturen zweier Phyllokieselsäuren, H2 Si2 O5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1964","120","","427","449","10.1524/zkri.1964.120.16.427","","","","","","","","","","","","","","","","","","","","","has coordinates","206107","2020-10-21","18:00:00",""
"9011113","5.584","","14.6","","5.374","","90","","90","","90","","438.123","","","","","","","","","","","","Synthetic","4","I b m 2","I 2 -2b","46","","","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A. A.; Geller, S.","The crystal structure of brownmillerite, Ca2FeAlO5 Note: no bond lengths could be reproduced","Acta Crystallographica, Section B","1971","27","12","2311","2315","10.1107/S056774087100579X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""