# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-10T14:28:13+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 293 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
"1008789","5.984","0.002","5.984","0.002","14.559","0.008","90","","90","","120","","451.5","","","","","","","","","","","","synthetic","4","P 63/m m c","-P 6c 2c","194","","Rubidium caesium cobalt fluoride (0.5/0.5/1/3) - LT","Perovskite group","- Co Cs0.5 F3 Rb0.5 -","- Co Cs0.5 F3 Rb0.5 -","- Co6 Cs3 F18 Rb3 -","6","0.25","","Dance, J M; Soubeyroux, J L; Kerkouri, N; Tressaud, A","Chimie de solide - structure magnetique de la phase Rb0.5 Cs0.5 Co F3 de type perovskite hexagonale 6H","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1981","293","","279","293","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510850","5.746","","5.746","","3.036","","90","","90","","90","","100.238","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","V3 B2","","- B2 V3 -","- B2 V3 -","- B4 V6 -","2","0.125","","Wiesinger, G.; Hauback, B.C.; Yartys', V.A.; Harris, I.R.; Guegan, P.W.; Riabov, A.B.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511017","7.412","","7.412","","7.412","","90","","90","","90","","407.199","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zr V1.9 B0.1","","- B0.1 V1.9 Zr -","- B0.1 V1.9 Zr -","- B0.8 V15.2 Zr8 -","8","0.0416667","","Harris, I.R.; Yartys', V.A.; Hauback, B.C.; Guegan, P.W.; Wiesinger, G.; Riabov, A.B.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511114","12.1607","","12.1607","","12.1607","","90","","90","","90","","1798.36","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 B0.24 O0.36","","- B0.24 O0.36 V3 Zr3 -","- B0.24 O0.36 V3 Zr3 -","- B3.84 O5.76 V48 Zr48 -","16","0.0833333","","Yartys', V.A.; Guegan, P.W.; Harris, I.R.; Wiesinger, G.; Riabov, A.B.; Hauback, B.C.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521129","7.0433","","7.0433","","7.7826","","90","","90","","120","","334.355","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Tb Ni Al D0.303","","- Al D0.303 Ni Tb -","- Al D0.303333 Ni Tb -","- Al6 D1.82 Ni6 Tb6 -","6","0.5","","Hauback, B.C.; Fjellvag, H.; Palhaugen, L.; Yartys', V.A.; Yvon, K.","Crystal and magnetic structure of Tb Ni Al - based deuterides, Tb Ni Al D0.3 and Tb Ni Al D1.04, studied by neutron diffraction and synchrotron radiation","Journal of Alloys Compd.","1999","293","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521131","3.8257","","12.4668","","7.2964","","90","","90","","90","","347.996","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Tb Ni Al D1.04","","- Al D1.04 Ni Tb -","- Al D1.04 Ni Tb -","- Al6 D6.24 Ni6 Tb6 -","6","0.75","","Hauback, B.C.; Palhaugen, L.; Fjellvag, H.; Yartys', V.A.; Yvon, K.","Crystal and magnetic structure of Tb Ni Al - based deuterides, Tb Ni Al D0.3 and Tb Ni Al D1.04, studied by neutron diffraction and synchrotron radiation","Journal of Alloys Compd.","1999","293","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521343","5.399","","5.399","","4.307","","90","","90","","120","","108.726","","","","","","","","","","","","","4","P 6 m m","P 6 -2","183","","La Ni4.8 Sn0.2 D6.17","","- D6.17 La Ni4.8 Sn0.2 -","- D6.166 La Ni4.799 Sn0.201 -","- D6.166 La Ni4.799 Sn0.201 -","1","0.0833333","","Joubert, J.M.; Yvon, K.; Latroche, M.; Cerny, R.; Percheron-Guegan, A.; Bowman, R.C.jr.","Crystallographic study of La Ni5-x Snx (0.2<x<0.5) compounds and their hydrides","Journal of Alloys Compd.","1999","293","","124","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521344","5.392","","5.392","","4.313","","90","","90","","120","","108.595","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","La Ni4.6 Sn0.4 D5.51","","- D5.51 La Ni4.6 Sn0.4 -","- D5.51 La Ni4.601 Sn0.399 -","- D5.51 La Ni4.601 Sn0.399 -","1","0.0416667","","Joubert, J.M.; Latroche, M.; Cerny, R.; Yvon, K.; Bowman, R.C.jr.; Percheron-Guegan, A.","Crystallographic study of La Ni5-x Snx (0.2<x<0.5) compounds and their hydrides","Journal of Alloys Compd.","1999","293","","124","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521833","5.6172","","5.6172","","5.185","","90","","90","","120","","141.683","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Zr3 O","","- O Zr3 -","- O Zr3 -","- O2 Zr6 -","2","0.166667","","Riabov, A.B.; Yartys', V.A.; Wiesinger, G.; Hauback, B.C.; Guegan, P.W.; Harris, I.R.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521834","3.043","","3.043","","3.043","","90","","90","","90","","28.178","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","V O0.03","","- O0.03 V -","- O0.03 V -","- O0.06 V2 -","2","0.0208333","","Riabov, A.B.; Guegan, P.W.; Yartys', V.A.; Wiesinger, G.; Hauback, B.C.; Harris, I.R.","Hydrogenation behaviour, neutron diffraction studies and microstructural characterisation of boron oxide-doped Zr V alloys","Journal of Alloys Compd.","1999","293","","93","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521852","5.174","","5.174","","8.491","","90","","90","","120","","196.853","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(Hf0.702 Ti0.298) (Ni1.355 V0.645) D2.175","","- D2.175 Hf0.702 Ni1.355 Ti0.298 V0.645 -","- D2.1735 Hf0.7025 Ni1.355 Ti0.2975 V0.645 -","- D8.694 Hf2.81 Ni5.42 Ti1.19 V2.58 -","4","0.166667","","Roennebro, E.; Noreus, D.; Sakai, T.; Tsukahara, M.","Neutron diffraction study of the new hexagonal Laves phase (Hf, Ti) (Ni, V)2 and its deuteride","Journal of Alloys Compd.","1999","293","","169","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","142068","2020-10-21","18:00:00",""
"1521970","5.404","","5.404","","8.821","","90","","90","","120","","223.09","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zr Co V D3.3","","- Co D3.3 V Zr -","- Co1.0005 D3.2985 V0.9995 Zr -","- Co4.002 D13.194 V3.998 Zr4 -","4","0.166667","","Soubeyroux, J.L.; Fruchart, D.; Biris, A.S.","Structural studies of Laves phases Zr Co (V1-x Crx) with 0<x<1 and their hydrides","Journal of Alloys Compd.","1999","293","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521971","5.376","","5.376","","8.788","","90","","90","","120","","219.958","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zr Co V0.732 Cr0.268 D3.36","","- Co Cr0.268 D3.36 V0.732 Zr -","- Co Cr0.268 D3.36 V0.732 Zr -","- Co4 Cr1.072 D13.44 V2.928 Zr4 -","4","0.166667","","Soubeyroux, J.L.; Fruchart, D.; Biris, A.S.","Structural studies of Laves phases Zr Co (V1-x Crx) with 0<x<1 and their hydrides","Journal of Alloys Compd.","1999","293","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521972","5.347","","5.347","","8.745","","90","","90","","120","","216.526","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zr Co V0.478 Cr0.522 D3.42","","- Co Cr0.522 D3.42 V0.478 Zr -","- Co Cr0.5215 D3.42 V0.4785 Zr -","- Co4 Cr2.086 D13.68 V1.914 Zr4 -","4","0.166667","","Soubeyroux, J.L.; Fruchart, D.; Biris, A.S.","Structural studies of Laves phases Zr Co (V1-x Crx) with 0<x<1 and their hydrides","Journal of Alloys Compd.","1999","293","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521973","5.33","","5.33","","8.719","","90","","90","","120","","214.512","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zr Co V0.268 Cr0.732 D3.28","","- Co Cr0.732 D3.28 V0.268 Zr -","- Co Cr0.7325 D3.2775 V0.2675 Zr -","- Co4 Cr2.93 D13.11 V1.07 Zr4 -","4","0.166667","","Soubeyroux, J.L.; Biris, A.S.; Fruchart, D.","Structural studies of Laves phases Zr Co (V1-x Crx) with 0<x<1 and their hydrides","Journal of Alloys Compd.","1999","293","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521974","5.316","","5.316","","8.694","","90","","90","","120","","212.775","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zr Co V0.088 Cr0.912 D2.90","","- Co Cr0.912 D2.9 V0.088 Zr -","- Co Cr0.912 D2.901 V0.088 Zr -","- Co4 Cr3.648 D11.604 V0.352 Zr4 -","4","0.166667","","Soubeyroux, J.L.; Biris, A.S.; Fruchart, D.","Structural studies of Laves phases Zr Co (V1-x Crx) with 0<x<1 and their hydrides","Journal of Alloys Compd.","1999","293","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530404","7.282","","11.662","","11.482","","90","","90.9","","90","","974.962","","","","","","","","","","","","","1","P 1 21/c 1","-P 2ybc","14","","Pb S O4 (Pb O)4","","- Pb4.998 -","- Pb4.998 -","- Pb19.992 -","4","1","","Mentzen, B.F.; Bouix, J.; Viala, J.C.; Sartre, A.","Chimie du solide - etude structurale du sulfate tetrabasique de plomb Pb S O4 (Pb O)4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1981","293","","1053","1055","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1535012","17.303","","9.99","","17.924","","90","","90","","90","","3098.29","","","","","","","","","","","","","1","C c m m","-C 2c 2c","63","","","","- C70 -","- C70 -","- C280 -","4","0.25","","Soldatov, A.V.; Dzyabchenko, A.; Roth, G.; Haluska, M.; Johnels, D.; Lebedkin, S.; Meingast, C.; Sundqvist, B.; Kuzmany, H.","Topochemical polymerization of C70 controlled by monomer crystal packing","Science","2001","293","","680","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537422","4.98","","4.98","","4.98","","96.83","","96.83","","96.83","","120.645","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Ba (Pb F6)","","- Ba F6 Pb -","- Ba F6 Pb -","- Ba F6 Pb -","1","0.0833333","","Hoppe, R.; Blinne, K.","Erdalkalihexafluoroplumbate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1958","293","","251","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537423","8.476","","8.476","","8.476","","90","","90","","90","","608.938","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca (Pb F6)","","- Ca F6 Pb -","- Ca F6 Pb -","- Ca4 F24 Pb4 -","4","0.0208333","","Hoppe, R.; Blinne, K.","Erdalkalihexafluoroplumbate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1958","293","","251","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537424","5.21","","5.21","","8.96","","90","","90","","90","","243.211","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","Sr (Pb F6)","","- F6 Pb Sr -","- F6 Pb Sr -","- F12 Pb2 Sr2 -","2","0.125","","Hoppe, R.; Blinne, K.","Erdalkalihexafluoroplumbate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1958","293","","251","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1566190","15.658","0.003","15.658","0.003","27.166","0.006","90","","90","","120","","5768","2","298","2","298","2","9130000","","","","","","","7","R 3 c :H","R 3 -2""c","161","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.62 Li9 Na1.25 O162 Si54 -","- Al18 Be18 Cs6.621 Li9 Na1.245 O162 Si54 -","- Al36 Be36 Cs13.242 Li18 Na2.49 O324 Si108 -","2","0.111111","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0575","0.0354","","","0.0906","0.1001","","","","","","1.073","","","","has coordinates","272352","2022-01-31","09:21:11",""
"1566191","15.948","0.008","15.948","0.008","27.81","0.02","90","","90","","120","","6126","6","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","","- Al18 Be18 Cs6.45 Li9 Na1.2 O162 Si54 -","- Al18 Be18 Cs6.453 Li9 Na1.203 O162 Si54 -","- Al36 Be36 Cs12.906 Li18 Na2.406 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0313","0.028","","","0.0815","0.0837","","","","","","1.115","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566192","15.943","0.009","15.943","0.009","27.81","0.03","90","","90","","120","","6122","8","173","1","173","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.57 Li9 Na1.22 O162 Si54 -","- Al18 Be18 Cs6.5718 Li9 Na1.221 O162 Si54 -","- Al36 Be36 Cs13.1436 Li18 Na2.442 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0429","0.0273","","","0.0613","0.0668","","","","","","1.046","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566193","15.954","0.008","15.954","0.008","27.83","0.02","90","","90","","120","","6135","6","473","1","473","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.56 Li9 Na1.12 O162 Si54 -","- Al18 Be18 Cs6.5646 Li9 Na1.119 O162 Si54 -","- Al36 Be36 Cs13.1292 Li18 Na2.238 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0307","0.0254","","","0.0774","0.0804","","","","","","1.066","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566194","15.95","0.008","15.95","0.008","27.82","0.02","90","","90","","120","","6129","6","373","1","373","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.6 Li9 Na1.15 O162 Si54 -","- Al18 Be18 Cs6.5952 Li9 Na1.149 O162 Si54 -","- Al36 Be36 Cs13.1904 Li18 Na2.298 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0467","0.0299","","","0.0708","0.0775","","","","","","1.054","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"9017845","8.35","","8.35","","8.35","","90","","90","","90","","582.183","","","","","","","","","","","","Synthetic","3","P -4 3 m","P -4 2 3","215","","","Maghemite","- Fe21 H O33 -","- Fe21 H O33 -","- Fe21 H O33 -","1","0.0416667","","Sinha, K. P.; Sinha, A. P. B.","Ein Fehlstellenuberstruktur - Modell fur gamma-Fe2O3","Zeitschrift fur Anorganische und Allgemeine Chemie","1957","293","","228","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""