# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T12:28:51+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 2 m b' 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
"1541038","21.836","","5.4615","","23.45","","90","","90","","90","","2796.58","","","","","","","","","","","","","4","I 2 m b","I -2b 2","46","","Bi8 Sr8 Co4 O25","","- Bi8 Co4 O25 Sr8 -","- Bi8 Co4 O25 Sr8 -","- Bi32 Co16 O100 Sr32 -","4","0.5","","Tarascon, J.M.; Giroud, M.; Miceli, P.F.; Hwang, D.M.; Hull, G.W.jr.; Barboux, P.; McKinnon, W.R.; Neumann, D.A.; le Page, Y.; Tselepis, E.; Greene, L.H.; Rhyne, J.J.; Pleizier, G.; Eibschuetz, M.","Structure and magnetic properties of nonsuperconducting doped Co and Fe (Bi2 Sr2 Cu1-x Mx Oy) phases","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","39","","11587","11598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107357","12.1","","16.64","","12.52","","90","","90","","90","","2520.83","","","","","","","","","","","","","3","I 2 m b","I -2b 2","46","","P Cl4 Te Cl5","","- Cl9 P Te -","- Cl9 P Te -","- Cl72 P8 Te8 -","8","1","","Collins, P.H.; Webster, M.","The crystal structure of the 1:1 compound formed between phosphorus pentachloride and tellurium tetrachloride, Cl9 P Te","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1260","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4107909","5.56049","0.00005","38.71093","0.00031","5.58134","0.00005","90","","90","","90","","1201.39","0.018","","","","","","","","","","","","5","I 2 m b","I -2b 2","46","","","","- Ba1.62 Ca1.56 Fe5 Nd1.82 O13 -","- Ba1.6232 Ca1.5581 Fe5 Nd1.8183 O13 -","- Ba6.4928 Ca6.2324 Fe20 Nd7.2732 O52 -","4","0.5","","Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky","Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments","Journal of the American Chemical Society","2008","130","","7570","7583","10.1021/ja077762f","powder diffraction","x-ray","0.6","","","","","","","","","0.05176","","2.56","","","","","","","has coordinates,has Fobs","178825","2020-10-21","18:00:00",""
"4337114","14.8003","0.0001","38.0848","0.0002","11.2473","0.0005","90","","90","","90","","6339.7","0.3","293","","293","","","","","","","","","4","I 2 m b","I -2b 2","46","","","","- Bi18 O77 P14 Zn15 -","- Bi18.004 O77 P14 Zn14.996 -","- Bi72.016 O308 P56 Zn59.984 -","4","0.5","","Aliev, A.; Endara, D.; Huvé, M; Colmont, M.; Roussel, P.; Delevoye, L.; Tran, T. T.; Halasyamani, P. S.; Mentré, O","Labile Degree of Disorder in Bismuth-Oxophosphate Compounds: Illustration through Three New Structural Types.","Inorganic chemistry","2014","53","2","861","871","10.1021/ic402930d","","x-ray","0.71073","MoKα","","0.0445","0.037","","","0.0401","0.0453","","","","1.37","1.37","1.43","","","","has coordinates","288070","2023-12-06","12:51:11",""
"9002389","5.2281","","14.4686","","5.4004","","90","","90","","90","","408.504","","","","","","","","","","","","","3","I 2 m b","I -2b 2","46","","","","- Al2 Ca2 O5 -","- Al2 Ca2 O5 -","- Al8 Ca8 O20 -","4","0.5","","Kahlenberg, V.; Fischer, R. X.; Shaw, C. S. J.","Rietveld analysis of dicalcium aluminate (Ca2Al2O5) - A new high pressure phase with the Brownmillerite type structure","American Mineralogist","2000","85","","1061","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9003344","5.3808","","14.6131","","5.5911","","90","","90","","90","","439.629","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.552 Ca2 Fe1.448 O5 -","- Al0.552 Ca2 Fe1.448 O5 -","- Al2.208 Ca8 Fe5.792 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht55_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003345","5.3832","","14.6214","","5.5916","","90","","90","","90","","440.114","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.59 Ca2 Fe1.41 O5 -","- Al0.59 Ca2 Fe1.41 O5 -","- Al2.36 Ca8 Fe5.64 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht50_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003346","5.3714","","14.5805","","5.5847","","90","","90","","90","","437.381","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.663 Ca2 Fe1.337 O5 -","- Al0.663 Ca2 Fe1.337 O5 -","- Al2.652 Ca8 Fe5.348 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht070_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003347","5.3569","","14.5407","","5.5735","","90","","90","","90","","434.137","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.789 Ca2 Fe1.211 O5 -","- Al0.789 Ca2 Fe1.211 O5 -","- Al3.156 Ca8 Fe4.844 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht120_6","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003348","5.351","","14.5256","","5.5685","","90","","90","","90","","432.82","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.866 Ca2 Fe1.134 O5 -","- Al0.866 Ca2 Fe1.134 O5 -","- Al3.464 Ca8 Fe4.536 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht095_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003349","5.3469","","14.5149","","5.564","","90","","90","","90","","431.82","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.909 Ca2 Fe1.091 O5 -","- Al0.909 Ca2 Fe1.091 O5 -","- Al3.636 Ca8 Fe4.364 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht100_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003350","5.3369","","14.4945","","5.5548","","90","","90","","90","","429.695","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.986 Ca2 Fe1.014 O5 -","- Al0.986 Ca2 Fe1.014 O5 -","- Al3.944 Ca8 Fe4.056 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht110n1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003351","5.3269","","14.4687","","5.5433","","90","","90","","90","","427.241","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.078 Ca2 Fe0.922 O5 -","- Al1.078 Ca2 Fe0.922 O5 -","- Al4.312 Ca8 Fe3.688 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht120n2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003352","5.3093","","14.4534","","5.523","","90","","90","","90","","423.821","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.259 Ca2 Fe0.741 O5 -","- Al1.259 Ca2 Fe0.741 O5 -","- Al5.036 Ca8 Fe2.964 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht130_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003353","5.2991","","14.4434","","5.5099","","90","","90","","90","","421.711","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.346 Ca2 Fe0.654 O5 -","- Al1.346 Ca2 Fe0.654 O5 -","- Al5.384 Ca8 Fe2.616 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht140_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9012183","7.051","","9.968","","7.285","","90","","90","","90","","512.022","","","","","","","","","","","","Ivigtut, Greenland","4","I 2 m b","","","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: I2mb refinement, T = ambient Note: z(F6) corrected","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012184","7.051","","9.968","","7.285","","90","","90","","90","","512.022","","","","133","","","","","","","","Ivigtut, Greenland","4","I 2 m b","","","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.5","","Knop, O.; Cameron, T. S.; Jochem, K.","What is the true space group of weberite? Sample: I2mb refinement, T = 133 K Note: z(F6) corrected","Journal of Solid State Chemistry","1982","43","","213","221","10.1016/0022-4596(82)90231-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014150","5.2866","","14.3321","","5.5163","","90","","90","","90","","417.959","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 7.73 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014351","5.3394","","14.4853","","5.5584","","90","","90","","90","","429.902","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 3.21 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014962","5.383","","14.61","","5.592","","90","","90","","90","","439.786","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 0.0001 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015731","5.303","","14.3778","","5.529","","90","","90","","90","","421.561","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 6.27 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016018","5.324","","14.438","","5.545","","90","","90","","90","","426.233","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 4.511 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016157","5.361","","14.5523","","5.5958","","90","","90","","90","","436.556","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.55 Ca2 Fe1.45 O5 -","- Al0.55 Ca2 Fe1.45 O5 -","- Al2.2 Ca8 Fe5.8 O20 -","4","0.5","","Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.","The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 1.49 GPa","Physics and Chemistry of Minerals","2008","35","","493","504","10.1007/s00269-008-0244-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""