# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T01:18:51+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n 21 m' 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
"1008904","5.11","0.01","10.3","0","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Tricobalt diuranium(V) oxide - LT","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.5","","Bacmann, M; Lambert-Andron, B","Structures cristallines de Co3 U2 O8 a 300 K et 110 K","Physica Status Solidi, Sectio A: Applied Research","1982","72","","833","837","10.1002/pssa.2210720249","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1550388","15.67","","9.07","","8.56","","90","","90","","90","","1216.61","","","","","","","","","","","","synthetic","4","P n 21 m","P -2 -2bc","31","","Potassium aluminium silicate","","- Al K O4 Si -","- Al2 K O4 -","- Al24 K12 O48 -","12","3","","Gregorkiewitz M","Synthese und charakterisierung poröser silicate","PhD Thesis, TU Darmstadt","1980","","","1","792","","powder diffraction","","0.71069","","","","0.128","","","","","","","","","","","","","","has coordinates","212756","2020-10-21","18:00:00",""
"2016712","6.4374","0.0002","5.1744","0.0002","17.2998","0.0005","90","","90","","90","","576.25","0.03","117","","117","","","","","","","","","6","P n 21 m","P -2 -2bc","31","rocksalt urea water","Rock salt‒urea‒water (1/1/1) (NaCl.CH~4~N~2~O.H~2~O)","","- C H6 Cl N2 Na O2 -","- C H6 Cl N2 Na O2 -","- C4 H24 Cl4 N8 Na4 O8 -","4","1","GD3223","Müller, S.; Schäfer, O.; Keller, E.","Rock salt‒urea‒water (1/1/1) at 293 and 117K","Acta Crystallographica Section C","2008","64","8","m300","m304","10.1107/S0108270108022427","","","0.71073","MoKα","","0.0477","0.0339","","","0.0819","0.0859","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"4100269","5.4939","0.0011","11.115","0.002","15.503","0.003","90","","90","","90","","946.7","0.3","150","2","150","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Bi4 Mn2.7 Ni1.3 O12 -","- Bi4 Mn2.72 Ni1.28 O12 -","- Bi16 Mn10.88 Ni5.12 O48 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4134711","12.38233","0.00011","12.66874","0.00012","7.66215","0.00006","90","","90","","90","","1201.95","0.018","300","","300","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- Li0.687 Nb5 O15 Pb2.157 -","- Li0.685 Nb5 O15 Pb2.1565 -","- Li2.74 Nb20 O60 Pb8.626 -","4","1","","Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran","Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.","Journal of the American Chemical Society","2020","142","16","7480","7486","10.1021/jacs.0c00133","powder diffraction","neutron","2.0775","neutron","","0.088","0.0787","","0.0653","0.0629","","","","2.13","","","","","","","has coordinates","251452","2020-10-21","18:00:00",""
"7010608","6.4454","0.0004","6.8624","0.0004","19.0731","0.0011","90","","90","","90","","843.62","0.09","173","2","173","2","","","","","","","synthesis as described","5","P n 21 m","P -2 -2bc","31","[Re(CO)3(P3C2tBu2)]","","","- C13 H18 O3 P3 Re -","- C13 H18 O3 P3 Re -","- C26 H36 O6 P6 Re2 -","2","0.5","","Al-Ktaifani, Mahmoud; Green, Jennifer C.; Hitchcock, Peter B.; Nixon, John F.","Electronic structure of [M(η-P3C2But2)(CO)3] (M = Mn or Re): a study by photoelectron spectroscopy and density functional calculations","Journal of the Chemical Society, Dalton Transactions","2001","","11","1726","","10.1039/b101014j","","x-ray","0.71073","MoKα","","0.0368","0.036","","","0.0944","0.0952","","","","","","1.111","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7202774","6.203","0.003","6.7961","0.0012","6.998","0.002","90","0.017","90","0.03","90","0.03","295.01","0.17","293","2","293","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- C4 H6 Cu O5 -","- C4 H6 Cu O5 -","- C8 H12 Cu2 O10 -","2","0.5","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0385","0.0352","","","0.0862","0.0872","","","","","","1.09","","","","has coordinates","180358","2020-10-21","18:00:00",""
"8103528","4.7779","","4.8119","","6.572","","90","","90","","90","","151.095","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Hg (S O4)","","- Hg O4 S -","- Hg O4 S -","- Hg2 O8 S2 -","2","0.5","","Aurivillius, K.; Stalhandske, C.","Reinvestigation of the crystal structures of Hg S O4 and Cd S O4","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103529","4.6982","","4.7191","","6.5578","","90","","90","","90","","145.395","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Cd (S O4)","","- Cd O4 S -","- Cd O4 S -","- Cd2 O8 S2 -","2","0.5","","Aurivillius, K.; Stalhandske, C.","Reinvestigation of the crystal structures of Hg S O4 and Cd S O4","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104226","4.785","","4.821","","6.581","","90","","90","","90","","151.814","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Hg (S O4)","","- Hg O4 S -","- Hg O4 S -","- Hg2 O8 S2 -","2","0.5","","Kokkoros, P.A.; Rentzeperis, P.J.","The crystal structure of the anhydrous cadmium and mercuric sulfates","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1963","119","","234","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9004093","4.873","","5.852","","3.608","","90","","90","","90","","102.889","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","","Costibite","- Co S Sb -","- Co S Sb -","- Co2 S2 Sb2 -","2","0.5","","Rowland, J. F.; Gabe, E. J.; Hall, S. R.","The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)","The Canadian Mineralogist","1975","13","","188","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9008184","8.081","","8.747","","7.636","","90","","90","","90","","539.747","","","","","","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","Seligmannite","- As Cu Pb S3 -","- As Cu Pb S3 -","- As4 Cu4 Pb4 S12 -","4","1","","Takeuchi, Y.; Haga, N.","On the crystal structures of seligmannite, PbCuAsS3, and related minerals","Zeitschrift fur Kristallographie","1969","130","","254","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008197","8.153","","8.692","","7.793","","90","","90","","90","","552.258","","","","","","","","","","","","Kanton Graubunden","4","P n 21 m","P -2 -2bc","31","","","Bournonite","- Cu Pb S3 Sb -","- Cu Pb S3 Sb -","- Cu4 Pb4 S12 Sb4 -","4","1","","Edenharter, A.; Nowacki, W.; Takeuchi, Y.","Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Kanton Graubunden","Zeitschrift fur Kristallographie","1970","131","","397","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008199","8.076","","8.737","","7.634","","90","","90","","90","","538.655","","","","","","","","","","","","Lengenbach, Binnatal, Switzerland","4","P n 21 m","P -2 -2bc","31","","","Seligmannite","- As Cu Pb S3 -","- As Cu Pb S3 -","- As4 Cu4 Pb4 S12 -","4","1","","Edenharter, A.; Nowacki, W.; Takeuchi, Y.","Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Lengenbach, Binnatal, Switzerland","Zeitschrift fur Kristallographie","1970","131","","397","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9010484","14.158","","5.6462","","3.3196","","90","","90","","90","","265.365","","","","","","","","","","","","Hakansboda, Lindesberg, Vastmanland, Sweden","4","P n 21 m","P -2 -2bc","31","","","Glaucodot","- As3 Co1.5 Fe1.5 S3 -","- As3 Co1.5 Fe1.5 S3 -","- As6 Co3 Fe3 S6 -","2","0.5","","Yang, H.; Downs, R. T.","Crystal structure of glaucodot, (Co,Fe)AsS, and its relationships to marcasite and arsenopyrite","American Mineralogist","2008","93","","1183","1186","10.2138/am.2008.2966","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011348","5.57","","19.088","","5.965","","90","","90","","90","","634.2","","","","","","","","","","","","Musoni, Shaba, Ziare","5","P n 21 m","P -2 -2bc","31","","","Derriksite","- Cu4 H6 O14 Se2 U -","- Cu4 H6 O14 Se2 U -","- Cu8 H12 O28 Se4 U2 -","2","0.5","","Ginderow, D.; Cesbron, F.","Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Note: anisoB's from ICSD","Acta Crystallographica, Section C","1983","39","","1605","1607","10.1107/S0108270183009439","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9013834","6.585","","23.776","","7.025","","90","","90","","90","","1099.87","","","","","","","","","","","","","6","P n 21 m","P -2 -2bc","31","","","","- Ca2 H12 K Na O24 Si8 -","- Ca2 H10 K Na O24 Si8 -","- Ca4 H20 K2 Na2 O48 Si16 -","2","0.5","","Cadoni, M.; Ferraris, G.","Two new members of the rhodesite mero-plesiotype series close to delhayelite and hydrodelhayelite: synthesis and crystal structure Note: Sample TRO3","European Journal of Mineralogy","2009","21","","485","493","10.1127/0935-1221/2009/0021-1918","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""