# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:49:21+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 'Power Diffraction') 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
"1000003","7.9661","0.0007","9.205","0.001","7.3198","0.0008","90","","102.104","0.008","90","","524.8","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anhydrous acid strontium oxalate","","","- C3 O6 Sr -","- C3 O6 Sr -","- C12 O24 Sr4 -","4","1","","G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke","Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction","Powder Diffraction","2001","16","4","224","226","10.1154/1.1401199","","","","","","","","","","","","","","","","","","","","","has coordinates","208206","2020-10-21","18:00:00",""
"1000128","7.771","0.003","11.578","0.001","11.852","0.004","90","","105.5","0.04","90","","1027.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraamminepalladium dichromate","","- Cr2 H12 N4 O7 Pd -","- Cr2 H12 N4 O7 Pd -","- Cr8 H48 N16 O28 Pd4 -","4","1","","Laligant, Y; Le Bail, A","Structure of (Pd (N H3)4) Cr2 O7","Powder Diffraction","1995","10","3","159","164","10.1017/S0885715600014640","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","200367","2020-10-21","18:00:00",""
"1100062","5.4632","0.0002","5.4632","0.0002","5.0859","0.0006","90","","90","","120","","131.5","","","","","","","","","","","","","4","P 63","P 6c","173","","Lithium Iron Iodate (1/0.3333/2/6)","","- Fe0.333 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","1","0.166667","","Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y","X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~","Power Diffraction","2002","17","","132","134","10.1154/1.1460872","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1500024","8.8749","0.0003","16.4118","0.0007","7.1373","0.0003","90","","93.8031","0.001","90","","1037.28","0.07","293","","293","","","","","","","","www.serateclab.com","5","P 1 21/n 1","-P 2yn","14","bethanechol chloride","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Armel Le Bail","<i>Ab initio</i> structure determination of bethanechol chloride","Powder Diffraction","2010","25","","","","","powder diffraction","","1.54056","CuKα","","","","","","","","","3.5799","","","","","","","","has coordinates","287905","2023-11-30","18:01:52",""
"1507761","8.3242","0.0003","7.2502","0.0003","11.8875","0.0004","90","","90","","90","","717.44","0.05","293","","293","","","","","","","","Thermal decomposition of K2(H5O2)Al2F9 Le Bail, A., Duroy, H. and Fourquet, J.L. (1992). J. Solid State Chem. 98, 151-158.","3","P n m a","-P 2ac 2n","62","potassium tetrafluoroaluminate","","","- Al F4 K -","- Al F4 K -","- Al8 F32 K8 -","8","1","","Le Bail, A","Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra","Powder Diffraction","2009","24","3","185","190","10.1154/1.3194692","powder diffraction","","","X-ray","","","","","","","","","4.9679","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507762","10.4052","0.0001","7.2251","0.0001","7.2689","0.0001","90","","90.664","0.0004","90","","546.429","0.012","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Ga3 Na5 -","- F14 Ga3 Na5 -","- F28 Ga6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507763","10.5096","0.0003","7.2253","0.0002","7.2713","0.0002","90","","90.6753","0.0007","90","","552.11","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cr3 F14 Na5 -","- Cr3 F14 Na5 -","- Cr6 F28 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507764","10.4342","0.0007","7.3418","0.0006","7.4023","0.0006","90","","90.799","0.005","90","","567","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Fe3 Na5 -","- F14 Fe3 Na5 -","- F28 Fe6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507767","3.6121","0.0003","14.952","0.0012","5.2692","0.0004","90","","90","","90","","284.58","0.04","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al F4 Na -","- Al F4 Na -","- Al4 F16 Na4 -","4","0.25","","Le Bail, A","Crystal structure of NaAlF4, a new aristotype","Powder Diffraction","2009","24","4","301","305","10.1154/1.3257603","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507768","13.5135","0.00016","7.04327","0.00013","12.2253","0.0002","90","","90","","90","","1163.59","0.03","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Al3 F12 H4 K3 O2 -","- Al3 F12 K3 O2 -","- Al12 F48 K12 O8 -","4","0.5","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507769","7.0523","0.0005","12.1005","0.0009","6.7057","0.0005","90","","90","","90","","572.24","0.07","443","2","443","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Al3 F12 H2 K3 O -","- Al3 F12 K3 O -","- Al6 F24 K6 O2 -","2","0.25","","Le Bail, A","Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1)","Powder Diffraction","2009","24","","292","300","10.1154/1.3257585","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507770","5.99259","0.00013","5.57807","0.00012","11.5208","0.0003","90","","90","","90","","385.107","0.015","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- F2.26 Fe0.26 Pb0.74 -","- F1.557 Fe0.25975 Pb0.74025 -","- F12.456 Fe2.078 Pb5.922 -","8","0.5","","Le Bail, A","The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27)","Powder Diffraction","2011","26","","303","307","10.1154/1.3659491","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507771","4.1519","0.001","4.7055","0.001","53.555","0.004","89.473","0.015","87.617","0.005","76.329","0.005","1015.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H39 Ag O2 -","- C20 H39 Ag O2 -","- C40 H78 Ag2 O4 -","2","1","","Stephens, P W; Kaduk, J A; Blanton, T N; Whitcomb, D R; Misture, S T; Rajeswraran, M","Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods","Powder Diffraction","2012","27","","99","103","10.1017/S0885715612000309","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507772","6.81133","0.00008","6.95839","0.00009","17.385","0.0002","87.92","0.001","89.48","0.001","62.772","0.001","732.166","0.017","288","","288","","","","","","","","","4","P -1","-P 1","2","","","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","","Fortes, A D; Wood, I G","X-ray powder diffraction analysis of a new magnesium chromate hydrate, MgCrO4.11H2O","Powder Diffraction","2012","27","","8","11","10.1017/S088571561200005X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507773","6.7813","0.0001","7.4944","0.0001","8.5013","0.0001","95.257","0.001","102.478","0.001","108.979","0.001","392.733","0.01","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Al N O6 -","- C7 H3 Al N O6 -","- C14 H6 Al2 N2 O12 -","2","1","","Stahl, K; Brink, B; Andersen, J","Structure determination of a novel metal-organic compound synthesized from aluminum and 2,5-pyridinedicarboxylic acid","Powder Diffraction","2011","","","S44","S46","10.1154/1.3659288","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507774","4.1769","0.0002","4.7218","0.0002","58.3385","0.0001","89.44","0.003","89.634","0.005","75.854","0.001","1115.63","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H43 Ag O2 -","- C22 H43 Ag O2 -","- C44 H86 Ag2 O4 -","2","1","","Blanton, T N; Rajeswraran, M; Stephens, P W; Whitcomb, D R; Misture, S T; Kaduk, J A","Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods","Powder Diffraction","2011","26","","313","320","10.1154/1.3661981","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509113","4.438","","4.438","","7.224","","90","","90","","120","","123.22","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Silver gallium yttrium (0.4/1.6/1)","","- Ag0.4 Ga1.6 Y -","- Ag0.4 Ga1.6 Y -","- Ag0.8 Ga3.2 Y2 -","2","0.0833333","","Dwight, A.E.","The Ca In2-type structure in Y Ag0.4 Ga1.6","Powder Diffraction","1986","1","","328","329","10.1017/S088571560001201X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511295","5.4602","","7.5596","","4.8417","","90","","90","","90","","199.851","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 B","","- B Pd3 -","- B Pd3 -","- B4 Pd12 -","4","0.5","","Ellner, M.; Mittemeijer, E.J.; Beck, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","10.1154/1.1351156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513881","7.3964","0.0002","5.6779","0.0001","11.5445","0.0003","90","","90","","90","","484.82","0.02","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F5 Fe K2 -","- F5 Fe K2 -","- F20 Fe4 K8 -","4","0.5","","Le Bail, Armel","On two new K~2~FeF~5~ forms","Powder Diffraction","2014","29","1","33","41","10.1017/S0885715613001334","powder diffraction","","1.5418","CuKα","","","","","","","","","4.6781","1.755","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513882","13.0919","0.0002","5.7311","0.0001","7.3114","0.0001","90","","118.241","0.001","90","","483.281","0.014","296","","296","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- F5 Fe K2 -","- F5 Fe K2 -","- F20 Fe4 K8 -","4","0.5","","Le Bail, Armel","On two new K~2~FeF~5~ forms","Powder Diffraction","2014","29","1","33","41","10.1017/S0885715613001334","powder diffraction","","1.5418","CuKα","","","","","","","","","5.78","1.865","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520794","9.8799","","10.2801","","9.8764","","90","","90.113","","90","","1003.11","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca2.89 (Al5.84 Si10.16 O32) (H2 O)16.32","","- Al5.84 Ca2.89 H32.64 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","1","0.125","","Artioli, G.; Marchi, M.","On the space group of garronite","Powder Diffraction","1999","14","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521062","24.47559","","6.7516","","5.4572","","90","","90","","90","","901.799","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H.","Rietveld refinement of the crystal structure of gamma-(Mo4 O11)","Powder Diffraction","1999","14","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521294","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Cu3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Cu3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141026","2020-10-21","18:00:00",""
"1521295","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Mn3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Mn3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141027","2020-10-21","18:00:00",""
"1521296","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K Mn (Fe (C N)6) (H2 O)","","- C6 H2 Fe K Mn N6 O -","- C6 Fe K Mn N6 O -","- C24 Fe4 K4 Mn4 N24 O4 -","4","1","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521313","9.1878","","9.1878","","9.1878","","68.458","","68.458","","68.458","","646.373","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 Ti10.26 Ga9.63 O38","","- Ga9.63 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","1","0.166667","","Meden, A.; Skapin, S.; Kolar, D.","Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38","Powder Diffraction","1999","14","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521766","3.3505","","3.3505","","57.863","","90","","90","","120","","562.537","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(In0.58 Y0.42) (Zn0.83 In0.17)6 O8","","- In1.6 O8 Y0.42 Zn4.98 -","- In1.6 O8 Y0.42 Zn4.98 -","- In4.8 O24 Y1.26 Zn14.94 -","3","0.0833333","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (Zn O)5In2 O3","Powder Diffraction","1999","14","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","141980","2020-10-21","18:00:00",""
"1521831","11.588","","4.579","","5.059","","90","","97.746","","90","","265.988","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Fe5 C2","","- C2 Fe5 -","- C2 Fe5 -","- C8 Fe20 -","4","0.5","","Retief, J.J.","Powder diffraction data and Rietveld refinement of Haegg-carbide, chi-(Fe5 C2)","Powder Diffraction","1999","14","","130","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","142047","2020-10-21","18:00:00",""
"1522193","9.7477","","9.7477","","11.8791","","90","","90","","120","","977.504","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sr4 Pt O6","","- O6 Pt Sr4 -","- O6 Pt Sr4 -","- O36 Pt6 Sr24 -","6","0.166667","","Wong-Ng, W.; Young, R.A.; Kaduk, J.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522195","9.724","","9.724","","11.5214","","90","","90","","120","","943.465","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr3.15 Ca0.85) Pt O6","","- Ca0.85 O6 Pt Sr3.15 -","- Ca0.85 O6 Pt Sr3.15 -","- Ca5.1 O36 Pt6 Sr18.9 -","6","0.166667","","Wong-Ng, W.; Swartzendruber, L.J.; Kaduk, J.A.; Brown, H.J.; Young, R.A.; Jiang, F.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522197","9.6153","","9.6153","","11.4284","","90","","90","","120","","915.044","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr2.145 Ca1.855) Pt O6","","- Ca1.855 O6 Pt Sr2.145 -","- Ca1.855 O6 Pt Sr2.145 -","- Ca11.13 O36 Pt6 Sr12.87 -","6","0.166667","","Wong-Ng, W.; Kaduk, J.A.; Young, R.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522199","9.478","","9.478","","11.3301","","90","","90","","120","","881.45","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr1.094 Ca2.906) Pt O6","","- Ca2.906 O6 Pt Sr1.094 -","- Ca2.906 O6 Pt Sr1.094 -","- Ca17.436 O36 Pt6 Sr6.564 -","6","0.166667","","Wong-Ng, W.; Brown, H.J.; Kaduk, J.A.; Jiang, F.; Young, R.A.; Swartzendruber, L.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525620","12.7759","","4.9497","","5.4704","","90","","97.049","","90","","343.316","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pd5 B2","","- B2 Pd5 -","- B2 Pd5 -","- B8 Pd20 -","4","0.5","","Beck, M.; Mittemeijer, E.J.; Ellner, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","146648","2020-10-21","18:00:00",""
"1525852","9.145","","9.145","","15.099","","90","","90","","120","","1093.57","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd4 (S O4) (O H)6 (H2 O)1.5","","- Cd4 H9 O11.5 S -","- Cd4 O11.5 S -","- Cd16 O46 S4 -","4","0.666667","","Louer, D.; Rius, J.; Louer, M.; Bennard-Rocherulle, P.","Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4 S O4 (O H)6 * 1.5(H2 O) studied from X-ray powder and single-crystal diffraction data","Powder Diffraction","2001","16","","86","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525900","9.7505","","9.7505","","9.3094","","90","","90","","120","","766.489","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y6 O6 (W O6)","","- O12 W Y6 -","- O12 W Y6 -","- O36 W3 Y18 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525901","9.7583","","9.7583","","9.3142","","90","","90","","120","","768.112","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ho6 O6 (W O6)","","- Ho6 O12 W -","- Ho6 O12 W -","- Ho18 O36 W3 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526208","3.9325","","3.9325","","25.5069","","90","","90","","90","","394.453","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Bi1.63 Ba0.37) (Ba0.71 Bi0.29) (Ta2 O9)","","- Ba1.08 Bi1.92 O9 Ta2 -","- Ba1.077 Bi1.923 O9 Ta2 -","- Ba2.154 Bi3.846 O18 Ta4 -","2","0.0625","","Paiva-Santos, C.O.; Mazon, T.; Zaghete, M.A.; Campos, A.L.; Varela, J.A.; Foschini, C.R.","Crystal structure of Ba Bi2 Ta2 O9","Powder Diffraction","2000","15","","134","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","147342","2020-10-21","18:00:00",""
"1526323","5.987","","5.987","","11.979","","90","","90","","90","","429.377","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Cu In Se Te -","- Cu In Se Te -","- Cu4 In4 Se4 Te4 -","4","0.25","","Rashmi; Suri, D.K.","X-ray powder diffraction study of Cu In Se Te","Powder Diffraction","2000","15","","65","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526458","5.8444","","8.1574","","7.5032","","90","","112.97","","90","","329.352","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","1","","Ivanov, S.A.; Orlov, V.G.; Tellgren, R.; Rundlof, H.","Structural studies of alpha-(Bi2 O3) by neutron powder diffraction","Powder Diffraction","2001","16","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526947","8.38898","","5.99334","","5.89586","","90","","89.997","","90","","296.432","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Bi2.8 Ca1.2) Sr4 O12","","- Bi2.8 Ca1.2 O12 Sr4 -","- Bi2.8 Ca1.2 O12 Sr4 -","- Bi2.8 Ca1.2 O12 Sr4 -","1","0.25","","Wong-Ng, W.; Kaduk, J. A.; Huang, Q.; Roth, R. S.","Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O~12~","Powder Diffraction","2000","15","4","227","233","10.1017/S0885715600011131","","","","","","","","","","","","","","","","","","","","","has coordinates","188691","2020-10-21","18:00:00",""
"1526948","13.96062","","13.96062","","5.78483","","90","","90","","90","","1127.46","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Eu8 Zn4 O21","","- Ba5 Eu8 O21 Zn4 -","- Ba5 Eu8 O21 Zn4 -","- Ba10 Eu16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148234","2020-10-21","18:00:00",""
"1526949","13.91895","","13.91895","","5.76822","","90","","90","","90","","1117.52","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Gd8 Zn4 O21","","- Ba5 Gd8 O21 Zn4 -","- Ba5 Gd8 O21 Zn4 -","- Ba10 Gd16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148235","2020-10-21","18:00:00",""
"1526950","13.80473","","13.80473","","5.72491","","90","","90","","90","","1091","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Dy8 Zn4 O21","","- Ba5 Dy8 O21 Zn4 -","- Ba5 Dy8 O21 Zn4 -","- Ba10 Dy16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148236","2020-10-21","18:00:00",""
"1526951","13.76577","","13.76577","","5.70754","","90","","90","","90","","1081.56","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Ho8 Zn4 O21","","- Ba5 Ho8 O21 Zn4 -","- Ba5 Ho8 O21 Zn4 -","- Ba10 Ho16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148237","2020-10-21","18:00:00",""
"1526952","13.71838","","13.71838","","5.69019","","90","","90","","90","","1070.86","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Er8 Zn4 O21","","- Ba5 Er8 O21 Zn4 -","- Ba5 Er8 O21 Zn4 -","- Ba10 Er16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148238","2020-10-21","18:00:00",""
"1526953","13.67323","","13.67323","","5.67492","","90","","90","","90","","1060.97","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Tm8 Zn4 O21","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148239","2020-10-21","18:00:00",""
"1526954","13.63502","","13.63502","","5.65846","","90","","90","","90","","1051.99","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Yb8 Zn4 O21","","- Ba5 O21 Yb8 Zn4 -","- Ba5 O21 Yb8 Zn4 -","- Ba10 O42 Yb16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148240","2020-10-21","18:00:00",""
"1526970","3.8731","","3.8249","","11.6602","","90","","90","","90","","172.737","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","(Y0.81 Ca0.19) (Ba0.9 La0.1)2 Cu3 O7.08","","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","1","0.125","","Wu, X.S.; Wang, F.Z.; Jiang, S.S.","Structure determination and Rietveld refinement of Y0.8 Ca0.2 Ba1.8 La0.2 Cu3 Oy","Powder Diffraction","2001","16","","212","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","148257","2020-10-21","18:00:00",""
"1527228","9.097","","9.097","","9.097","","90","","90","","90","","752.826","","","","","","","","","","","","","2","P -4 3 m","P -4 2 3","215","","","","- Cu9 In4 -","- Cu9 In4 -","- Cu36 In16 -","4","0.166667","","Che Guangcan; Ellner, M.","Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4 (h) and Cu2 In (h)","Powder Diffraction","1992","7","","107","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531362","9.3656","","12.2731","","7.4816","","90","","98.649","","90","","850.193","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn2 (Fe (C N)6) (H2 O)8","","- C6 H16 Fe Mn2 N6 O8 -","- C6 Fe Mn2 N6 O8 -","- C12 Fe2 Mn4 N12 O16 -","2","0.5","","Gomez, A.; Lara, V.H.; Bosch, P.; Reguera, E.","The structure of two manganese hexacyanometallates(II): Mn2 (Fe (C N)6) * 8(H2 O) and Mn2 (Os (C N)6) *8(H2 O)","Powder Diffraction","2002","17","","144","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531363","9.4922","","12.493","","7.6013","","90","","98.695","","90","","891.048","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn2 (Os (C N)6) (H2 O)8","","- C6 H16 Mn2 N6 O8 Os -","- C6 Mn2 N6 O8 Os -","- C12 Mn4 N12 O16 Os2 -","2","0.5","","Gomez, A.; Lara, V.H.; Bosch, P.; Reguera, E.","The structure of two manganese hexacyanometallates(II): Mn2 (Fe (C N)6) * 8(H2 O) and Mn2 (Os (C N)6) *8(H2 O)","Powder Diffraction","2002","17","","144","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531865","10.02794","","10.02794","","10.02794","","90","","90","","90","","1008.41","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na Ba In2 (P O4)3","","- Ba In2 Na O12 P3 -","- Ba1.017 In2 Na0.983 O12 P3 -","- Ba4.068 In8 Na3.932 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531868","10.12268","","10.12268","","10.12268","","90","","90","","90","","1037.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba In2 (P O4)3","","- Ba In2 K O12 P3 -","- Ba1.068 In2 K0.93 O12 P3 -","- Ba4.272 In8 K3.72 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531871","10.22854","","10.22854","","10.22854","","90","","90","","90","","1070.14","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Ba In2 (P O4)3","","- Ba Cs In2 O12 P3 -","- Ba Cs In2 O12 P3 -","- Ba4 Cs4 In8 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Rulmont, A.; Liegeois-Duyckaerts, M.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531974","10.7636","","10.7636","","10.7636","","90","","90","","90","","1247.02","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 Na Tb Cl6","","- Cl6 Cs2 Na Tb -","- Cl6 Cs2 Na Tb -","- Cl24 Cs8 Na4 Tb4 -","4","0.0208333","","Poblete, V.; Martin, V.; Navarro, G.; Alvarez, M.","Synthesis and characterization of luminescent materials. The elpasolite Cs2 Na Tb Cl6","Powder Diffraction","2002","17","","10","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532010","5.5032","","5.5032","","13.3675","","90","","90","","120","","350.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.64 Sr0.36) (Mn O3)","","- La0.64 Mn O3 Sr0.36 -","- La0.639 Mn O3 Sr0.361 -","- La3.834 Mn6 O18 Sr2.166 -","6","0.166667","","Paiva-Santos, C.O.; Jafelicci, M.jr.; Marques, R.F.C.; Varanda, L.C.","X-ray powder data and bond valence of La0.65 Sr0.35 Mn O3 after Rietveld refinement","Powder Diffraction","2002","17","","149","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532335","10.5501","","3.692","","12.5663","","90","","90","","90","","489.47","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr La4 O8","","- Ba La4 O8 Sr -","- Ba La4 O8 Sr -","- Ba2 La8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532337","10.4012","","3.58727","","12.3393","","90","","90","","90","","460.403","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Nd4 O8","","- Ba Nd4 O8 Sr -","- Ba Nd4 O8 Sr -","- Ba2 Nd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532340","10.349","","3.54266","","12.2391","","90","","90","","90","","448.722","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Sm4 O8","","- Ba O8 Sm4 Sr -","- Ba O8 Sm4 Sr -","- Ba2 O16 Sm8 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532342","10.3306","","3.51847","","12.1936","","90","","90","","90","","443.212","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Eu4 O8","","- Ba Eu4 O8 Sr -","- Ba Eu4 O8 Sr -","- Ba2 Eu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532345","10.32655","","3.49713","","12.1722","","90","","90","","90","","439.578","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Gd4 O8","","- Ba Gd4 O8 Sr -","- Ba Gd4 O8 Sr -","- Ba2 Gd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532348","10.26111","","3.45219","","12.049","","90","","90","","90","","426.815","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Dy4 O8","","- Ba Dy4 O8 Sr -","- Ba Dy4 O8 Sr -","- Ba2 Dy8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532351","10.23438","","3.43224","","12.01585","","90","","90","","90","","422.079","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Ho4 O8","","- Ba Ho4 O8 Sr -","- Ba Ho4 O8 Sr -","- Ba2 Ho8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532371","3.9147","","3.8672","","11.7033","","90","","90","","90","","177.175","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","(La0.7 Pr0.3) Ba2 Cu3 O6.97","","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","1","0.125","","Wu, X.S.; Wang, J.; Sha, H.; Yu, T.; Tan, W.S.; Hu, A.; Jiang, S.S.; Ding Yongfan","The crystal structure of La0.7 Pr0.3 Ba2 Cu3 Od ceramic compound","Powder Diffraction","2002","17","","25","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","158077","2020-10-21","18:00:00",""
"1532568","11.1787","","11.1787","","20.5789","","90","","90","","120","","2227.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Eu3 F17)","","- Ba4 Eu3 F17 -","- Ba4 Eu3 F17.001 -","- Ba24 Eu18 F102.006 -","6","0.333333","","Achary, S.N.; Patwe, S.J.; Tyagi, A.K.","Powder XRD study of Ba4 Eu3 F17","Powder Diffraction","2002","17","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158500","2020-10-21","18:00:00",""
"1532688","5.9411","","5.8714","","9.4212","","90","","95.232","","90","","327.266","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Pb2 Cl2 (C2 O4)","","- C2 Cl2 O4 Pb2 -","- C2 Cl2 O4 Pb2 -","- C4 Cl4 O8 Pb4 -","2","0.25","","Boudaren, C.; Auffredic, J.P.; Louer, M.; Louer, D.","A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2 O4): ab initio structure determination and thermal behaviour","Powder Diffraction","2003","18","","205","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","158644","2020-10-21","18:00:00",""
"1532768","10.2434","","3.43107","","12.0221","","90","","90","","90","","422.527","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Y4 O8","","- Ba O8 Sr Y4 -","- Ba O8 Sr Y4 -","- Ba2 O16 Sr2 Y8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532770","10.21534","","3.41465","","11.97533","","90","","90","","90","","417.721","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Er4 O8","","- Ba Er4 O8 Sr -","- Ba Er4 O8 Sr -","- Ba2 Er8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532772","10.17143","","3.40117","","11.92002","","90","","90","","90","","412.37","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Tm4 O8","","- Ba O8 Sr Tm4 -","- Ba O8 Sr Tm4 -","- Ba2 O16 Sr2 Tm8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532776","10.15475","","3.38199","","11.87965","","90","","90","","90","","407.986","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Yb4 O8","","- Ba O8 Sr Yb4 -","- Ba O8 Sr Yb4 -","- Ba2 O16 Sr2 Yb8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532780","10.12504","","3.36249","","11.84691","","90","","90","","90","","403.332","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Lu4 O8","","- Ba Lu4 O8 Sr -","- Ba Lu4 O8 Sr -","- Ba2 Lu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532846","6.3906","","7.2568","","7.3673","","90","","90.234","","90","","341.658","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Li0.5 Ni0.25 (Ti O) (P O4)","","- Li0.5 Ni0.25 O5 P Ti -","- Li0.5 Ni0.25 O5 P Ti -","- Li2 Ni O20 P4 Ti4 -","4","1","","Manoun, B.; El Jazouli, A.; Gravereau, P.; Bouree, F.; Chaminade, J.P.","Determination and Rietveld refinement of the crystal structure of Li0.5 Ni0.25 Ti O (P O4) from powder X-ray and neutron diffraction","Powder Diffraction","2002","17","","290","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532850","11.795","","11.795","","11.795","","90","","90","","90","","1640.94","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","(Mo O2)0.41 (P Mo14 O42)","","- Mo14.41 O42.82 P -","- Mo14.427 O41.935 P -","- Mo28.854 O83.87 P2 -","2","0.0416667","","Marosi, L.; Cifre, J.; Otero Arean, C.","X-ray powder diffraction analysis of the heteropoly-molybdate (Mo O2)0.5 P Mo14 O42","Powder Diffraction","2003","18","","236","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532913","5.496","","5.496","","13.5063","","90","","90","","120","","353.314","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi3 K0.6 Na2.4 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532915","5.5154","","5.5154","","3.8999","","90","","90","","90","","118.634","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi K0.2 Na0.8 O6 Ti2 -","2","0.25","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532916","5.5047","","5.5047","","13.5341","","90","","90","","120","","355.163","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.6 K0.4)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi3 K1.2 Na1.8 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532918","3.9032","","3.9032","","3.9112","","90","","90","","90","","59.587","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","(Na0.6 K0.4)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532919","5.5207","","5.5207","","13.567","","90","","90","","120","","358.099","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi3 K1.5 Na1.5 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532920","3.9136","","3.9136","","3.9289","","90","","90","","90","","60.176","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532922","3.9312","","3.9312","","3.9312","","90","","90","","90","","60.754","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Na0.4 K0.6)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.3 Na0.2 O3 Ti -","- Bi0.5 K0.3 Na0.2 O3 Ti -","- Bi0.5 K0.3 Na0.2 O3 Ti -","1","0.0208333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532924","3.9388","","3.9388","","3.9613","","90","","90","","90","","61.456","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","K0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533115","5.89199","","5.89199","","8.31677","","90","","90","","90","","288.721","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Mg (Cr2 O4)","","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr8 Mg4 O16 -","4","0.125","","Ehrenberg, H.; Knapp, M.; Baehtz, C.; Klemme, S.","Tetragonal low-temperature phase of Mg Cr2 O4","Powder Diffraction","2002","17","","230","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533137","5.49","","7.7578","","5.5227","","90","","90","","90","","235.214","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.3) Mn O3","","- Ba0.3 Mn O3 Pr0.7 -","- Ba0.3 Mn O3 Pr0.7 -","- Ba1.2 Mn4 O12 Pr2.8 -","4","0.5","","Ellouze, M.; Boujelben, W.; Fuess, H.","Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3","Powder Diffraction","2003","18","","29","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533309","5.3942","","5.3942","","5.3942","","90","","90","","90","","156.957","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ce0.68 Y0.32) O1.81","","- Ce0.68 O1.81 Y0.32 -","- Ce0.68 O1.81 Y0.32 -","- Ce2.72 O7.24 Y1.28 -","4","0.0208333","","Chakraborty, K.R.; Chavan, S.V.; Tyagi, A.K.","A neutron diffraction study on a typical highly defective ceria - yttria solid solution","Powder Diffraction","2002","17","","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","159450","2020-10-21","18:00:00",""
"1533489","11.2818","","11.2818","","20.7788","","90","","90","","120","","2290.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Nd3 F17)","","- Ba4 F17 Nd3 -","- Ba4 F17.001 Nd3 -","- Ba24 F102.006 Nd18 -","6","0.333333","","Grover, V.; Patwe, S.J.; Achary, S.N.; Tyagi, A.K.","Synthesis and structural elucidation of Ba4 Nd3 F17: a powder XRD study","Powder Diffraction","2002","17","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","159734","2020-10-21","18:00:00",""
"1533574","6.7097","","9.9574","","15.825","","90","","93.69","","90","","1055.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4 (O (V O (O2)2)2) (H2 O)","","- H2 K4 O12 V2 -","- K4 O12 V2 -","- K16 O48 V8 -","4","1","","Grzywa, M.; Rafalska-Lasocha, A.; Lasocha, W.","X-ray powder diffraction data of potassium mue-oxo-bis(oxodiperoxovanadate)(4-) hydrate K4 (O (V O (O2)2)2) (H2 O)","Powder Diffraction","2003","18","","248","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","159828","2020-10-21","18:00:00",""
"1539587","10.6122","","10.6122","","10.6122","","90","","90","","90","","1195.13","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.8 Dy.2) O3","","- Dy0.2 O3 Y1.8 -","- Dy0.2 O3 Y1.8 -","- Dy3.2 O48 Y28.8 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168539","2020-10-21","18:00:00",""
"1539588","10.6199","","10.6199","","10.6199","","90","","90","","90","","1197.74","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.5 Dy.5) O3","","- Dy0.5 O3 Y1.5 -","- Dy0.5 O3 Y1.5 -","- Dy8 O48 Y24 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168540","2020-10-21","18:00:00",""
"1539589","10.63","","10.63","","10.63","","90","","90","","90","","1201.16","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.26 Dy.74) O3","","- Dy0.74 O3 Y1.26 -","- Dy0.74 O3 Y1.26 -","- Dy11.84 O48 Y20.16 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168541","2020-10-21","18:00:00",""
"1539590","10.6485","","10.6485","","10.6485","","90","","90","","90","","1207.44","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y.6 Dy1.4) O3","","- Dy1.4 O3 Y0.6 -","- Dy1.4 O3 Y0.6 -","- Dy22.4 O48 Y9.6 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168542","2020-10-21","18:00:00",""
"1539591","10.6603","","10.6603","","10.6603","","90","","90","","90","","1211.46","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y.2 Dy1.8) O3","","- Dy1.8 O3 Y0.2 -","- Dy1.8 O3 Y0.2 -","- Dy28.8 O48 Y3.2 -","16","0.333333","","Antic, B.; Oennerud, P.; Tellgren, R.; Rodic, D.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168543","2020-10-21","18:00:00",""
"1539592","10.63","","10.63","","10.63","","90","","90","","90","","1201.16","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-x Dyx O3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539679","18.931","","6.858","","5.931","","90","","94.85","","90","","767.258","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cd5 (O H)8 (N O3)2 (H2 O)2","","- Cd5 H12 N2 O16 -","- Cd5 N2 O16 -","- Cd10 N4 O32 -","2","0.25","","Benard, P.; Louer, D.; Louer, M.","Solving the crystal structure of Cd5 (O H)8 (N O3)2 (H2 O)2 from powder diffraction data. A comparison with single crystal data","Powder Diffraction","1991","6","","10","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539743","4.2943","","4.2943","","5.2328","","90","","90","","120","","83.57","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu2 In -","- Cu2 In -","- Cu4 In2 -","2","0.0833333","","Che, G.C.; Ellner, M.","Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4(h) and Cu2 In(h)","Powder Diffraction","1992","7","","107","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541208","3.85","","3.85","","9.54","","90","","90","","90","","141.407","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl Ba2 Cu O5","","- Ba2 Cu O5 Tl -","- Ba2 Cu O5 Tl -","- Ba2 Cu O5 Tl -","1","0.0625","","Matheis, D.P.; Snyder, R.L.","The crystal structures and powder diffraction patterns of the bismuth and thallium Ruddlesden-Popper copper oxide superconductors","Powder Diffraction","1990","5","","8","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546430","5.9388","0.0002","5.9388","0.0002","7.7322","0.0003","90","","90","","120","","236.173","0.015","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- O7 Tl4 V2 -","- O7 Tl4 V2 -","- O7 Tl4 V2 -","1","0.0833333","","Jouanneaux, A.; Joubert, O.; Evain, M.; Ganne, M.","Structure determination of Tl4V2O7 from powder diffraction data using an Inel X-ray PSD: stereochemical activity of thallium(I) lone pair","Powder Diffraction","1992","7","","206","211","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.041","","","","","","","","has coordinates","198238","2020-10-21","18:00:00",""
"1548619","11.00425","0.00028","11.00425","0.00028","11.00425","0.00028","90","","90","","90","","1332.54","0.06","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Cerium(IV) Neodymium Oxide (0.5/0.5/1.75)","","- Ce0.5 Nd0.5 O1.75 -","- Ce0.5 Nd0.5 O1.755 -","- Ce16 Nd16 O56.16 -","32","0.666667","","Chakraborty, K. R.; Krishna, P. S. R.; Chavan, S. V.; Tyagi, A. K.","A neutron diffraction study on ceria - neodia solid solutions","Powder Diffraction","2006","21","","36","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","204931","2020-10-21","18:00:00",""
"3000000","8.4721","0.0005","7.1575","0.0007","4.1265","0.0004","90","","90","","90","","250.23","0.04","293","","","","","","","","","","Synthetic","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Armel Le Bail; Salim Ouhenia; Daniel Chateigner","Microtwinning hypothesis for a more ordered vaterite model","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","powder diffraction","","","X-ray","","","","","","","","","5.2218","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"3000001","7.8266","0.0003","13.5847","0.0005","15.6119","0.0006","90","","90","","90","","1659.89","0.11","293","","293","","","","","","","","","6","C m c a","-C 2ac 2","64","Di-μ-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","","","- C4 H16 F8 O4 S2 Zr2 -","- C4 H16 F8 O4 S2 Zr2 -","- C16 H64 F32 O16 S8 Zr8 -","4","","","Youping Gao; Armel Le Bail","Di-mu-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","Powder Diffraction","2010","25","","329","","10.1154/1.3499814","powder diffraction","","1.5418","CuKα","","","","","","","","","4.7283","23.6","","","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"3000009","16.0725","0.0009","7.7301","0.0003","14.6189","0.0009","90","","96.8695","0.001","90","","1803.24","0.17","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","3,4-diaminopyridin-1-ium dihydrogen phosphate","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Armel Le Bail; Lubomir Smrcok","Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate","Powder Diffraction","2011","26","","321","","10.1154/1.3660160","powder diffraction","","1.5418","CuKα","","","","","","","","","2.6801","","","","","","","","has coordinates","201981","2020-10-21","18:00:00",""
"3000010","10.21145","0.00007","10.21145","0.00007","42.6958","0.0004","90","","90","","120","","3855.59","0.05","293","","293","","","","","","","","","3","P 61","P 61","169","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K72 O126 P36 -","18","3","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","0.3999","synchrotron","","","","","","","","","3.25","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3000011","5.9645","0.0003","5.9645","0.0003","14.4972","0.0008","90","","90","","120","","446.65","0.04","570","","570","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.19","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3000012","6.0117","0.0004","6.0117","0.0004","14.6215","0.0009","90","","90","","120","","457.63","0.05","870","","870","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.21","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3000041","6.36216","0.00017","12.7523","0.0004","11.4102","0.0003","90","","90","","90","","925.73","0.05","295","","295","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Al3 Cs6 F15 -","- Al3 Cs6 F15 -","- Al6 Cs12 F30 -","2","0.5","","Armel Le Bail; Lubomir Smrcok","Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~","Powder Diffraction","2015","30","2","130","138","10.1017/S0885715614001444","powder diffraction","","1.5418","CuKα","","","","","","","","","3.953","2.569","","","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000042","6.2535","0.00019","6.2535","0.00019","14.7193","0.0006","90","","90","","120","","498.5","0.03","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2 Cs3 F9 -","- Al2 Cs3 F9 -","- Al4 Cs6 F18 -","2","0.0833333","","Armel Le Bail; Lubomir Smrcok","Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~","Powder Diffraction","2015","30","2","130","138","10.1017/S0885715614001444","powder diffraction","","1.5418","CuKα","","","","","","","","","5.9856","3.154","","","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"6000110","4.3955","","4.3955","","6.015","","90","","90","","120","","100.65","","","","","","","","","","","","","3","P 63/m m c","","","","","","- Cu Sn Ti -","","","","","","Weitzer, F.; Perring, L.; Shibayanagi, T.; Naka, M.; Schuster, J. C.","Determination of the crystal structure of CuSnTi by full profile Rietveld analysis","Powder Diffraction","2000","15","","91","93","10.1017/S0885715600010897","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000205","15.265","","20.524","","3.99","","90","","90","","90","","1250.06","","","","","","","","","","","","","3","P 21 21 21","","","","","","- C18 H12 O2 -","","","","","","Yatsenko, A. V.; Chernyshev, V. V.; Zhukov, S. G.; Sonneveld, E. J.; Schenk, H.","Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction","Powder Diffraction","1999","14","","133","135","10.1017/S0885715600010447","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000221","11.599","","11.55","","8.575","","90","","110.76","","90","","1074.19","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N4 O4 -","- C9 H12 N4 O4 -","- C36 H48 N16 O16 -","4","1","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A.","Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data","Powder Diffraction","1999","14","","289","292","10.1017/S0885715600010708","","","","","","","","","","","","","","","","","","","","","has coordinates","208442","2020-10-21","18:00:00",""
"6000241","3.3285","","3.3285","","58.127","","90","","90","","120","","557.71","","","","","","","","","","","","","3","R -3 m","","","","","","- In2 O8 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000242","3.3505","","3.3505","","57.863","","90","","90","","120","","562.54","","","","","","","","","","","","","4","R -3 m","","","","","","- In1.6 O8 Y0.4 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000289","12.426","0.002","12.173","0.002","6.656","0.001","90","","100.19","0.01","90","","991","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N3 O3 -","","","4","1","","De Armas, H. N.; Hernandez, R. G.; Rivera, A. B.; Hernandez, R. P.; Martinez, I. H.","Crystal pseudopolymorphism of secnidazole bulk drug, C7H11N3O3","Powder Diffraction","1999","14","","136","141","10.1017/S0885715600010459","","","","","","","","","","","","","","","","","","","","","","203339","2020-10-21","18:00:00",""
"6000331","7.383","","7.3226","","7.3444","","90","","120.233","","90","","343.05","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Ni0.5 O5 P Ti -","","","","","","Gravereau, P.; Chaminade, J. P.; Manoun, B.; Krimi, S.; El, Jazouli A","Ab initio determination and Rietveld refinement of the crystal structure of Ni0.50TiO(PO4)","Powder Diffraction","1999","14","","10","15","10.1017/S088571560001023X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000332","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Cu3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000333","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Mn3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000334","10.234","","10.234","","10.234","","90","","90","","90","","1071.86","","","","","","","","","","","","","5","Fm3m","","","","","","- C6 Fe K N6 Ni -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000335","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C6 H4 Fe K Mn N6 O2 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000373","6.0039","","6.0039","","15.8203","","90","","90","","120","","493.87","","","","","","","","","","","","","4","P 63 m c","","","","","","- Li Mo2 O8 Tl3 -","","","","","","Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.","Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)","Powder Diffraction","1998","13","","244","245","10.1017/S0885715600010186","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000374","6.0348","","6.0348","","15.8176","","90","","90","","120","","498.89","","","","","","","","","","","","","4","P 63 m c","","","","","","- Li O8 Tl3 W2 -","","","","","","Xuriguera, A. M.; Justin, C. C.; Elfakir, A.; Quarton, M.","Crystal and powder neutron diffraction data of Tl3Li(MO4)(2) (M = Mo, W)","Powder Diffraction","1998","13","","244","245","10.1017/S0885715600010186","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000417","5.52","","5.52","","13.987","","90","","90","","120","","369.09","","","","","","","","","","","","","3","R -3","","","","","","- F6 Nb V -","","","","","","Goubard, F.; Bizot, D.; Chassaing, J.","Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6","Powder Diffraction","1998","13","","132","133","10.1017/S0885715600009969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000418","5.5403","","5.5403","","8.453","","90","","90","","90","","259.46","","","","","","","","","","","","","3","I 4/m m m","","","","","","- Cr F6 Nb -","","","","","","Goubard, F.; Bizot, D.; Chassaing, J.","Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6","Powder Diffraction","1998","13","","132","133","10.1017/S0885715600009969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000419","10.6373","","10.6373","","4.1724","","90","","90","","120","","408.86","","","","","","","","","","","","","3","P -6","","","","","","- Ba7 Cl2 F12 -","","","","","","Es-Sakhi, B.; Gravereau, P.; Fouassier, C.","Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12","Powder Diffraction","1998","13","","152","156","10.1017/S0885715600010009","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000619","9.9641","","9.9641","","7.207","","90","","90","","120","","619.67","","","","","","","","","","","","","4","P 63/m","","","","","","- Br O12 P3 Sr5 -","","","","","","Notzold, D.; Wulff, H.","Determining the crystal structure of Sr-5(PO4)(3)Br, a new compound in the apatite series, by powder diffraction modeling","Powder Diffraction","1998","13","","70","73","10.1017/S088571560000988X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000620","14.4856","","14.4856","","14.4856","","90","","90","","90","","3039.55","","","","","","","","","","","","","4","I -4 3 d","","","","","","- Cu2 Mo9 O36 Th4 -","","","","","","Launay, S.; Quarton, M.","Crystal data for Cu2Th4(MoO4)(9) and isostructural compounds","Powder Diffraction","1998","13","","107","112","10.1017/S0885715600009945","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000744","7.6661","","9.6212","","7.0725","","90","","106.261","","90","","500.78","","","","","","","","","","","","","5","P 1 21/m 1","","","","","","- C H16 Co5 N6 O6.5 -","","","","","","Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O","Powder Diffraction","1998","13","","32","34","10.1017/S0885715600009726","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000745","10.5623","","22.7304","","7.5174","","90","","91.35","","90","","1804.32","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C H13 Co N5 O6.5 -","","","","","","Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O","Powder Diffraction","1998","13","","32","34","10.1017/S0885715600009726","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000765","10.63","","3.8014","","4.9347","","90","","100.889","","90","","195.82","","","","","","","","","","","","","2","C 1 2/m 1","","","","","","- Co Ge -","","","","","","Audebrand, N.; Ellner, M.; Mittemeijer, E. J.","Powder diffraction data for the germanides CoGe and Co5Ge7","Powder Diffraction","2000","15","","120","122","10.1017/S0885715600010964","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000766","7.6262","","7.6262","","5.8017","","90","","90","","90","","337.42","","","","","","","","","","","","","2","I 4 m m","","","","","","- Co5 Ge7 -","","","","","","Audebrand, N.; Ellner, M.; Mittemeijer, E. J.","Powder diffraction data for the germanides CoGe and Co5Ge7","Powder Diffraction","2000","15","","120","122","10.1017/S0885715600010964","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000767","10.9564","","10.9564","","16.835","","90","","90","","120","","1750.17","","","","","","","","","","","","","5","R -3","","","","","","- Cr H24 La N6 O30 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000768","12.301","","12.301","","12.301","","90","","90","","90","","1861.32","","","","","","","","","","","","","5","P 21 3","","","","","","- Cr H12 La N6 O24 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000771","14.471","","9.6","","11.948","","90","","93.21","","90","","1657.23","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C18 H24 Cl N O2 -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000772","14.487","","9.878","","11.39","","90","","91.66","","90","","1629.25","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C17 H21 Cl2 N O -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000773","17.356","0.006","3.528","0.001","11.285","0.001","90","","93.23","0.02","90","","1912.6","","","","","","","","","","","","","4","","","","","","","- C5 H7 N5 O3 -","","","4","","","Tettenhorst, R. T.; Gerkin, R. E.","X-ray powder diffraction data for ammonium hydrogen (acid) urate, NH4C5H3N4O3","Powder Diffraction","1999","14","","305","307","10.1017/S0885715600010745","","","","","","","","","","","","","","","","","","","","","","203577","2020-10-21","18:00:00",""
"6000779","13.069","","7.559","","6.2037","","90","","90","","90","","612.85","","","","","","","","","","","","","3","P n m a","","","","","","- Fe2 Ge Se4 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Fe2GeSe4","Powder Diffraction","1998","13","","196","201","10.1017/S0885715600010101","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000780","12.847","","7.407","","12.854","","90","","109.82","","90","","1150.7","","","","","","","","","","","","","3","C 1 c 1","","","","","","- Cd4 Ge Se6 -","","","","","","Henao, J. A.; Delgado, J. M.; Quintero, M.","X-ray powder diffraction data and structural study of Cd4GeSe6","Powder Diffraction","1998","13","","202","209","10.1017/S0885715600010113","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000783","17.459","","6.8451","","8.1438","","90","","101.247","","90","","954.56","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- O12 P3 Pb0.5 Th2 -","","","","","","Elyacoubi, A.; Brochu, R.; Serghini, A.; Louer, M.; Talbi, M. A.; Louer, D.","Synthesis and structural study from X-ray powder diffraction of Pb0.5Th2(PO4)(3)","Powder Diffraction","1997","12","","76","80","10.1017/S0885715600009465","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9009985","5.225","","8.997","","7.78","","90","","101.71","","90","","358.121","","","","","","","","","","","","Tafone mine, Tucsany, Italy","5","C 1 m 1","C -2y","8","","","Chapmanite","- Fe2 H O9 Sb Si2 -","- Fe2 H O9 Sb Si2 -","- Fe4 H2 O18 Sb2 Si4 -","2","0.5","","Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N.","Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral","Powder Diffraction","1998","13","","44","49","10.1017/S0885715600009751","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9012497","6.9564","","6.9564","","6.1953","","90","","90","","90","","299.8","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","Stetindite","- Ce O4 Si -","- Ce O4 Si -","- Ce4 O16 Si4 -","4","0.125","","Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P.","The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2","Powder Diffraction","2000","15","","234","238","10.1017/S0885715600011143","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012498","9.4343","","9.4343","","6.8885","","90","","90","","120","","530.976","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","","- Ca1.011 Ce3.989 O13 Si3 -","- Ca1.011 Ce3.989 O13 Si3 -","- Ca2.022 Ce7.978 O26 Si6 -","2","0.166667","","Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P.","The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2","Powder Diffraction","2000","15","","234","238","10.1017/S0885715600011143","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012499","3.3199","","10.3678","","4.3154","","90","","90","","90","","148.536","","","","1100","","","","1200000","","","","","1","C m c e","-C 2ac 2","64","","","Phosphorus","- P -","- P -","- P8 -","8","0.5","","Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S.","Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K","Powder Diffraction","2003","18","","155","158","10.1154/1.1545115","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012718","5.497","","5.497","","20.864","","90","","90","","120","","545.984","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Palmierite","- K2 O8 Pb S2 -","- K2 O8 Pb S2 -","- K6 O24 Pb3 S6 -","3","0.0833333","","Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A.","X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2","Powder Diffraction","2001","16","","92","97","10.1154/1.1370567","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012719","9.44174","","9.44174","","6.93964","","90","","90","","120","","535.762","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Fluorellestadite","- Ca5 F O12 S1.5 Si1.5 -","- Ca5 F O12 S1.5 Si1.5 -","- Ca10 F2 O24 S3 Si3 -","2","0.166667","","Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G.","Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic","Powder Diffraction","2002","17","","281","286","10.1154/1.1505045","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9013970","4.5559","","4.5559","","4.5559","","90","","90","","90","","94.563","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013971","4.55613","","4.55613","","4.55613","","90","","90","","90","","94.578","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013972","4.55643","","4.55643","","4.55643","","90","","90","","90","","94.596","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9013973","11.777","","13.891","","6.46","","90","","90","","90","","1056.82","","","","","","","","","","","","Clear Creek claim, San Benito County, California","3","P b m a","-P 2a 2ab","57","","","Hanawaltite","- Cl2 Hg7 O3 -","- Cl2 Hg7 O3 -","- Cl8 Hg28 O12 -","4","0.5","","Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C.","Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure","Powder Diffraction","1996","11","","45","50","10.1017/S0885715600008915","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014019","3.00896","","3.00896","","3.00896","","90","","90","","90","","27.243","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014315","7.341","","7.341","","5.26996","","90","","90","","120","","245.951","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti -","- Ni Ti -","- Ni9 Ti9 -","9","1.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014557","5.9397","","5.9397","","5.9397","","90","","90","","90","","209.553","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Fluorocronite","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.0208333","","Achary, S. N.; Tyagi, A. K.","Synthesis and characterization of mixed fluorides with PbF2 and ScF3","Powder Diffraction","2005","20","","254","258","10.1154/1.1948391","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014987","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014993","22.6791","","22.6791","","7.22336","","90","","90","","120","","3217.52","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Chlorartinite","- C H5 Cl Mg2 O6 -","- C H5 Cl Mg2 O6 -","- C18 H90 Cl18 Mg36 O108 -","18","1","","Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.","Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite","Powder Diffraction","2007","22","","64","67","10.1154/1.2436546","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015084","11.229","","11.229","","21.478","","90","","90","","120","","2345.34","","","","","","","","","","","","Synthetic","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H64 O50 S3 -","- Al2 Ca6 H64 O50 S3 -","- Al4 Ca12 H128 O100 S6 -","2","0.333333","","Goetz-Neunhoeffer F; Neubauer, J.","Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis","Powder Diffraction","2006","21","","4","11","10.1154/1.2146207","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015346","7.3715","","7.3715","","5.302","","90","","90","","120","","249.507","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti0.885 -","- Ni Ti0.885 -","- Ni9 Ti7.965 -","9","1.5","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015390","4.99029","","4.99029","","17.0687","","90","","90","","120","","368.114","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015401","3.9624","","13.86","","3.6971","","90","","90","","90","","203.041","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Molybdite","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015581","3.0191","","3.0191","","3.0191","","90","","90","","90","","27.519","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.106 Ti0.942 -","- Ni0.10581 Ti0.9419 -","- Ni0.10581 Ti0.9419 -","1","0.0208333","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015733","2.92617","","4.17272","","4.69631","","90","","90","","97.4036","","56.864","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti0.921 -","- Ni1.079 Ti0.921 -","- Ni2.158 Ti1.842 -","2","0.5","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015813","2.8758","","4.12644","","4.6325","","90","","90","","96.964","","54.567","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015898","4.1304","","4.1304","","8.4749","","90","","90","","120","","125.213","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C0.99999 Ca O2.99997 -","- C1.99998 Ca2 O5.99994 -","2","0.0833333","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016022","4.99026","","4.99026","","17.0684","","90","","90","","120","","368.103","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016227","3.01302","","3.01302","","3.01302","","90","","90","","90","","27.353","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","- Ni0.493 Ti0.507 -","1","0.0208333","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016342","2.8894","","4.1334","","4.6321","","90","","90","","96.929","","54.917","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti -","- Ni Ti -","- Ni2 Ti2 -","2","0.5","","Sitepu, H.","Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged","Powder Diffraction","2009","24","","315","326","10.1154/1.3257906","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016547","4.1291","","7.1581","","8.4764","","90","","90","","90","","250.533","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Meyer (1959) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017808","11.96269","","11.96269","","11.96269","","90","","90","","90","","1711.93","","","","","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al7 Ca6 F0.87 O16 -","- Al7 Ca6 F0.87 O16 -","- Al28 Ca24 F3.48 O64 -","4","0.0833333","","Costa, U.; Ballirano, P.","Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f)","Powder Diffraction","2000","15","","56","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017809","7.00032","","6.99234","","6.24097","","90","","90","","90","","305.487","","","","","","","","","","","","Hants County, Nova Scotia, Canada","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017810","7.00071","","6.99274","","6.24125","","90","","90","","90","","305.535","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017811","7.00136","","6.99339","","6.24171","","90","","90","","90","","305.614","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""