# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2026-08-29T00:54:09+02:00 # 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 'Zeitschrift fur Kristallographie') AND volume = 220 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 "8103418","12.4852","","12.4852","","14.4117","","90","","90","","120","","1945.53","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Ag9.01 Mg36.81 -","- Ag9.009 Mg36.81 -","- Ag18.018 Mg73.62 -","2","0.166667","","Kudla, C.; Prots', Yu.M.; Kreiner, G.; Leineweber, A.","On the crystal structure of gamma - Ag Mg4","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","102","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8103419","12.4037","","12.4037","","14.321","","90","","90","","120","","1908.12","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Ag9.05 Mg36.72 -","- Ag9.0452 Mg36.7224 -","- Ag18.0904 Mg73.4448 -","2","0.166667","","Prots', Yu.M.; Kudla, C.; Leineweber, A.; Kreiner, G.","On the crystal structure of gamma - Ag Mg4","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","102","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8103705","7.714","","19.687","","10.361","","90","","108.06","","90","","1495.96","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K3 (Cr (C2 O4)3) (H2 O)2.7","","- C6 H5.4 Cr K3 O14.7 -","- C6 H5.408 Cr K3 O14.704 -","- C24 H21.632 Cr4 K12 O58.816 -","4","1","","Hu, C.; Heger, G.; Kalf, I.; Englert, U.","About the degree of hydration on potassiumtrisoxalatochromate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","926","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103876","7.6805","","5.4653","","37.747","","90","","95.875","","90","","1576.16","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca1 (Nb0.76 Ti0.24) O3.33","","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca Nb0.761 O3.33333 Ti0.193333 -","- Ca24 Nb18.264 O80 Ti4.64 -","24","12","","Guevarra, J.; Daniels, P.; van Smaalen, S.; Rotiroti, N.; Lichtenberg, F.","Perovskite-related Ca (Nb, Ti) O3.33","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","19","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103883","8.392","","37.497","","16.217","","90","","102.76","","90","","4977.06","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Zr O) I2 (H2 O)8","","- H16 I2 O9 Zr -","- I2 O9 Zr -","- I32 O144 Zr16 -","16","4","","Sinram, D.; Krebs, B.","Tetranuclear [Zr4 (O H)8 (H2 O)16] units in the crystal structure of Zr O I2 * 8(H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","166","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103895","7.7322","","11.9565","","10.3535","","90","","95.09","","90","","953.407","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Bi2 Cl4) (Al Cl4)2","","- Al2 Bi2 Cl12 -","- Al2 Bi2 Cl12 -","- Al4 Bi4 Cl24 -","2","0.5","","Beck, J.; Hengstmann, M.; Schlueter, S.","The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","162171","2020-10-21","18:00:00","" "8103897","7.693","","7.706","","9.739","","104.19","","102.65","","99.46","","531.44","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi2 Br4) (Al Br4)2","","- Al2 Bi2 Br12 -","- Al2 Bi2 Br12 -","- Al2 Bi2 Br12 -","1","0.5","","Beck, J.; Hengstmann, M.; Schlueter, S.","The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","162176","2020-10-21","18:00:00","" "8103910","9.5635","","9.5635","","7.0286","","90","","90","","120","","556.715","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Nd4.69 O (Si O4)3","","- Nd4.69 O13 Si3 -","- Nd4.694 O13 Si3 -","- Nd9.388 O26 Si6 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","162232","2020-10-21","18:00:00","" "8103913","9.4923","","9.4923","","6.9394","","90","","90","","120","","541.496","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sm4.66 O (Si O4)3","","- O13 Si3 Sm4.66 -","- O13 Si3 Sm4.658 -","- O26 Si6 Sm9.316 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","162237","2020-10-21","18:00:00","" "8103916","9.8337","","9.8337","","6.8404","","90","","90","","120","","572.857","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Nd4.65 S (Si O4)3","","- Nd4.65 O12 S Si3 -","- Nd4.654 O12 S Si3 -","- Nd9.308 O24 S2 Si6 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103918","9.7502","","9.7502","","6.7613","","90","","90","","120","","556.657","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sm4.60 S (Si O4)3","","- O12 S Si3 Sm4.6 -","- O12 S Si3 Sm4.596 -","- O24 S2 Si6 Sm9.192 -","2","0.166667","","Hartenbach, I.; Schleid, T.","M4.667Ch[Si O4]3 (M = Nd, Sm; Ch = O, S): structural comparison of two apatite-type lanthanoid chalcogenide ortho-oxosilicates","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","206","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103990","13.2004","","11.3688","","7.0423","","90","","94.158","","90","","1054.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Rb2 (B10 H10)","","- B10 H10 Rb2 -","- B10 H10 Rb2 -","- B40 H40 Rb8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M = Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103991","12.8554","","11.1784","","6.8227","","90","","93.357","","90","","978.759","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K2 (B10 H10)","","- B10 H10 K2 -","- B10 H10 K2 -","- B40 H40 K8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M= Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103992","10.2828","","13.0218","","6.6734","","90","","93.754","","90","","891.655","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na2 (B10 H10)","","- B10 H10 Na2 -","- B10 H10 Na2 -","- B40 H40 Na8 -","4","1","","Hoffmann, K.; Albert, B.","Crystal structures of M2 [B10 H10] (M = Na, K, Rb) via real space simulated annealing powder techniques","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","142","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104035","3.32141","","3.32141","","16.4852","","90","","90","","120","","157.496","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Na0.75 Bi0.25) O","","- Bi0.25 Na0.75 O -","- Bi0.25 Na0.75 O -","- Bi1.5 Na4.5 O6 -","6","0.166667","","Vensky, S.; Kienle, L.; Dinnebier, R.E.; Billinge, S.J.L.; Masadeh, A.S.; Jansen, M.","The real structure of Na3 Bi O4 by electron microscopy, HR-XRD, and PDF analysis","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","231","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104041","9.166","","9.166","","11.224","","90","","90","","120","","816.654","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Al13 La16 -","- Al13 La16 -","- Al13 La16 -","1","0.0833333","","Niewa, R.; Kirchner, M.; Zhang Hui; Schnelle, W.; Grin', Yu.","Metallic barrelane: crystal structure, physical properties and bonding analysis of La16 Al13","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8104044","9.9461","","9.9461","","9.9461","","90","","90","","90","","983.917","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7 Si S5 I","","- Cu7 I S5 Si -","- Cu6.996 I0.977 S5.023 Si1.00001 -","- Cu27.984 I3.908 S20.092 Si4.00004 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104045","9.8356","","9.8356","","9.8356","","90","","90","","90","","951.486","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.88 Si S5.82 Br0.18","","- Br0.18 Cu7.88 S5.82 Si -","- Br0.181 Cu7.8852 S5.819 Si -","- Br0.724 Cu31.5408 S23.276 Si4 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104046","9.9398","","9.9398","","9.9398","","90","","90","","90","","982.049","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.75 Ge S5.75 Br0.25","","- Br0.25 Cu7.75 Ge S5.75 -","- Br0.25 Cu7.74 Ge S5.75 -","- Br Cu30.96 Ge4 S23 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104047","10.0181","","10.0181","","10.0181","","90","","90","","90","","1005.44","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7 S5 Ge I","","- Cu7 Ge I S5 -","- Cu7.032 Ge I1.002 S4.998 -","- Cu28.128 Ge4 I4.008 S19.992 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104048","9.8989","","9.8989","","9.8989","","90","","90","","90","","969.976","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 As S5 I","","- As Cu6 I S5 -","- As1.00008 Cu6.06 I1.00008 S5.00016 -","- As4.00032 Cu24.24 I4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104049","9.8463","","9.8463","","9.8463","","90","","90","","90","","954.595","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 As S5 Br","","- As Br Cu6 S5 -","- As1.00008 Br1.00008 Cu5.952 S5.00016 -","- As4.00032 Br4.00032 Cu23.808 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104050","9.7846","","9.7846","","9.7846","","90","","90","","90","","936.762","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6 (P S5) I","","- Cu6 I P S5 -","- Cu5.94 I1.00008 P1.00008 S5.00016 -","- Cu23.76 I4.00032 P4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104051","9.6828","","9.6828","","9.6828","","90","","90","","90","","907.827","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu6.2 P S5 Cl","","- Cl Cu6.2 P S5 -","- Cl1.00008 Cu6.2032 P1.00008 S5.00016 -","- Cl4.00032 Cu24.8128 P4.00032 S20.0006 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104052","9.8967","","9.8967","","9.8967","","90","","90","","90","","969.329","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.49 Si S5.49 I0.51","","- Cu7.49 I0.51 S5.49 Si -","- Cu7.4896 I0.508296 S5.49186 Si1.00008 -","- Cu29.9584 I2.03318 S21.9675 Si4.00032 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104054","10.3799","","10.3799","","10.3799","","90","","90","","90","","1118.35","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.52 Ge Se5.52 I0.48","","- Cu7.52 Ge I0.48 Se5.52 -","- Cu7.518 Ge I0.48 Se5.52 -","- Cu30.072 Ge4 I1.92 Se22.08 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104055","10.2852","","10.2852","","10.2852","","90","","90","","90","","1088.02","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu7.44 Si Se5.44 I0.56","","- Cu7.44 I0.56 Se5.44 Si -","- Cu7.452 I0.56 Se5.44 Si -","- Cu29.808 I2.24 Se21.76 Si4 -","4","0.0416667","","Nilges, T.; Pfitzner, A.","A structural differentiation of quaternary copper argyrodites: Structure - property relations of high temperature ion conductors","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","281","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104078","7.8998","","23.805","","6.9336","","90","","90","","90","","1303.9","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998 Pb3 -","- Br28 Cu3.992 Pb12 -","4","0.5","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104079","7.8414","","23.671","","13.7702","","90.037","","90.284","","89.999","","2555.91","","","","","","","","","","","","","3","P 1","P 1","1","","Cu Pb3 Br7","","- Br7 Cu Pb3 -","- Br7 Cu0.998625 Pb3 -","- Br56 Cu7.989 Pb24 -","8","8","","Oldag, T.; Keller, H.L.","Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104119","6.8919","","6.9139","","9.6196","","109.64","","97","","109.62","","392.149","","","","","","","","","","","","","5","P 1","P 1","1","","Nd (N H2 S O3) (S O4) (H2 O)1.5","","- H5 N Nd O8.5 S2 -","- N Nd O8.5 S2 -","- N2 Nd2 O17 S4 -","2","2","","Wickleder, M.S.","Nd (N H2 S O3) (S O4) * 1.5 H2 O: a non-centrosymmetric amidosulfate-sulfate of neodymium","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","192","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104207","9.917","","3.23","","13.41","","90","","90","","90","","429.548","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.76 Se0.25 -","- P4.76 Se0.25 -","- P19.04 Se -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8104208","9.963","","3.231","","13.412","","90","","90","","90","","431.738","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- P4.68 Se0.3125 -","- P4.68 Se0.31 -","- P18.72 Se1.24 -","4","0.5","","Ruck, M.; Hoppe, D.; Simon, P.","Phosphorus-rich phosphorus selenides P(14+x)Se (x = 1, 5)","Zeitschrift fuer Kristallographie (149,1979-)","2005","220","","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "9011535","5.2735","","9.1165","","13.561","","90","","97.69","","90","","646.093","","","","","","","","","","","","Synthetic","8","C 1 2/m 1","-C 2y","12","","","","- C2.784 H9.112 F2 Li0.618 Mg2.382 N0.696 O10 Si4 -","- C2.784 H9.112 F2 Li0.618 Mg2.382 N0.696 O10 Si4 -","- C5.568 H18.224 F4 Li1.236 Mg4.764 N1.392 O20 Si8 -","2","0.25","","Seidl, W.; Breu, J.","Single crystal structure refinement of tetramethylammonium-hectorite Note: isostructural with hectorite Note: anisoU's and H data from ICSD","Zeitschrift fur Kristallographie","2005","220","","169","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""