# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:17:10+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n a n' 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
"1001570","5.4071","0.0003","5.4895","0.0004","24.549","0.002","90","","90","","90","","728.7","","","","","","","","","","","","","6","P n a n","-P 2n 2bc","52","","Bismuth lead barium lanthanum copper oxide","","- Ba Bi Cu La O6 Pb -","- Ba Bi Cu La O6 Pb -","- Ba4 Bi4 Cu4 La4 O24 Pb4 -","4","0.5","","Michel, C; Pelloquin, D; Hervieu, M; Raveau, B; Bouree, F","Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO~6~","European Journal of Solid State Inorganic Chemistry","1993","30","","991","996","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509500","12.781","","6.307","","10.754","","90","","90","","90","","866.877","","","","","","","","","","","","","4","P n a n","-P 2n 2bc","52","","Ag Sb O (Si O4)","","- Ag O5 Sb Si -","- Ag O5 Sb Si -","- Ag8 O40 Sb8 Si8 -","8","1","","Mill', B.V.; Belokoneva, E.L.","Crystal structures of quenched high-temperature and annealed low-temperature modifications of AgSbOSiO4","Zhurnal Neorganicheskoi Khimii","1994","39","","363","369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509502","12.72","","6.305","","10.728","","90","","90","","90","","860.381","","","","","","","","","","","","","4","P n a n","-P 2n 2bc","52","","Ag Sb O (Si O4)","","- Ag O5 Sb Si -","- Ag O5 Sb Si -","- Ag8 O40 Sb8 Si8 -","8","1","","Mill', B.V.; Belokoneva, E.L.","X-ray structural investigation of the redistribution of silver ionsin ion-conducting channels of Ag Sb O Si O4 after annealing at various temperatures","Zhurnal Neorganicheskoi Khimii","1996","41","","739","746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1529574","5.7051","","5.6935","","18.949","","90","","90","","90","","615.501","","","","","","","","","","","","","3","P n a n","-P 2n 2bc","52","","","","- Bi3 Br O4 -","- Bi3 Br O4 -","- Bi12 Br4 O16 -","4","0.5","","Aurivillius, B.","Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2","Chemica Scripta","1984","24","","125","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535093","13.355","","6.666","","10.754","","90","","90","","90","","957.369","","","","","","","","","","","","","4","P n a n","-P 2n 2bc","52","","Tl Sb O (Ge O4)","","- Ge O5 Sb Tl -","- Ge O5 Sb Tl -","- Ge8 O40 Sb8 Tl8 -","8","1","","Belokoneva, E.L.; Mill', B.V.","Crystal structure of alpha-Tl Sb O Ge O4 - high-temperature modification of K Ti O P O4.","Zhurnal Neorganicheskoi Khimii","1992","37","","252","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535124","13.331","","6.659","","10.74","","90","","90","","90","","953.402","","","","","","","","","","","","","4","P n a n","-P 2n 2bc","52","","Tl Sb O (Ge O4)","","- Ge O5 Sb Tl -","- Ge O5 Sb Tl -","- Ge8 O40 Sb8 Tl8 -","8","1","","Belokoneva, E.L.; Antipin, M.Yu.; Dolgushin, F.M.; Mill', B.V.; Struchkov, Yu.T.","A study of intermediate structural states of Tl Sb O Ge O4 during phase transitions in the temperature range 123-293 K","Zhurnal Neorganicheskoi Khimii","1994","39","","1080","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2011946","13.097","0.0009","6.531","0.0005","10.6873","0.0006","90","","90","","90","","914.15","0.11","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- Ge0.32 K O5 Sb Si0.68 -","- Ge0.324 K0.999 O5 Sb Si0.675 -","- Ge2.592 K7.992 O40 Sb8 Si5.4 -","8","1","BR1312","Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen","KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph","Acta Crystallographica Section C","2001","57","5","510","512","10.1107/S0108270101003547","","","0.71073","MoKα","","0.123","0.046","","0.168","","0.168","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"4002653","12.7943","0.0008","6.3019","0.0004","10.577","0.0005","90","","90","","90","","852.81","0.09","293","","293","","","","","","","","","6","P n a n","-P 2n 2bc","52","","","","- F K0.119 Li0.7 O4 P V -","- F K0.119 Li0.7 O4 P V -","- F8 K0.952 Li5.6 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.3257","0.2502","","","0.2521","0.2544","","","","11.34","11.34","8.38","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002655","12.928","0.0008","6.2741","0.0004","10.6536","0.0006","90","","90","","90","","864.13","0.09","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- F K0.173 O4 P V -","- F K0.173 O4 P V -","- F8 K1.384 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.2139","0.2023","","","0.2181","0.2183","","","","12.47","12.47","11.93","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4030709","12.8561","0.0009","6.3528","0.0004","10.6574","0.0008","90","","90","","90","","870.41","0.1","","","843","","","","","","","","","4","P n a n","-P 2n 2bc","52","","","","- Na O5 Sb Si -","- Na O5 Sb Si -","- Na8 O40 Sb8 Si8 -","8","1","","Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.","Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases","European Journal of Solid State and Inorganic Chemistry","1994","31","","995","1008","","","x-ray","0.71073","MoKα","","","0.041","","","0.046","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030710","13.035","0.003","6.503","0.001","10.609","0.002","90","","90","","90","","899.3","0.3","","","673","","","","","","","","","4","P n a n","-P 2n 2bc","52","","","","- K O5 Sb Si -","- K O5 Sb Si -","- K8 O40 Sb8 Si8 -","8","1","","Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.","Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases","European Journal of Solid State and Inorganic Chemistry","1994","31","","995","1008","","","x-ray","0.71073","MoKα","","","0.035","","","0.044","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030711","13.273","0.002","6.633","0.001","10.74","0.002","90","","90","","90","","945.5","0.3","","","673","","","","","","","","","4","P n a n","-P 2n 2bc","52","","","","- Ge K O5 Sb -","- Ge K O5 Sb -","- Ge8 K8 O40 Sb8 -","8","1","","Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.","Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases","European Journal of Solid State and Inorganic Chemistry","1994","31","","995","1008","","","x-ray","0.71073","MoKα","","","0.032","","","0.04","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030712","13.432","0.004","6.712","0.002","10.702","0.003","90","","90","","90","","964.8","0.5","","","523","","","","","","","","","4","P n a n","-P 2n 2bc","52","","","","- Ge O5 Rb Sb -","- Ge O5 Rb Sb -","- Ge8 O40 Rb8 Sb8 -","8","1","","Favard, J.-F.; Verbaere, A.; Piffard, Y.; Tournoux, M.","Phase transitions in the compounds ASbOSiO4 (A = Na, K) and ASbOGeO4 (A = K, Rb). 1. Crystal structures of the paraelectric phases","European Journal of Solid State and Inorganic Chemistry","1994","31","","995","1008","","","x-ray","0.71073","MoKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4302164","7.791","0.0009","21.372","0.003","36.997","0.003","90","","90","","90","","6160.3","1.2","296","2","296","2","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- C51 H24 F18 La2 O12 -","- C51 H24 F18 La2 O12 -","- C204 H96 F72 La8 O48 -","4","0.5","","Felipe Gándara; Víctor A. de la Peña-O'Shea; Francesc Illas; Natalia Snejko; David M. Proserpio; Enrique Gutiérrez-Puebla; M. Angeles Monge","Three Lanthanum MOF Polymorphs: Insights into Kinetically and Thermodynamically Controlled Phases","Inorganic Chemistry","2009","48","","4707","4713","10.1021/ic801779j","","","0.71073","MoKα","","0.436","0.1388","","","0.2394","0.3626","","","","","","0.864","","","","has coordinates","179059","2020-10-21","18:00:00",""
"7008660","15.1715","0.0005","16.6564","0.0004","29.3251","0.0006","90","","90","","90","","7410.5","0.3","293","2","293","2","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- C30.5 H30 Cd3 N10 O3.5 -","- C30.5 H26 Cd3 N10 O2.5 -","- C244 H208 Cd24 N80 O20 -","8","1","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi","Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3056","3064","10.1039/b505722a","","","0.71069","MoKα","","0.1025","0.0368","","","0.0969","0.116","","","","","","0.786","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106280","9.4134","0.0001","17.0471","0.0002","21.1472","0.0003","90","","90","","90","","3393.52","0.07","173","2","173","2","","","","","","","synthesis as described","6","P n a n","-P 2n 2bc","52","","","","- C26 H48 Br2 Mg2 N6 O4 -","- C26 H48 Br2 Mg2 N6 O4 -","- C104 H192 Br8 Mg8 N24 O16 -","4","0.5","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.7107","MoKα","","0.0766","0.0629","","","0.188","0.2024","","","","","","0.977","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""