# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T16:59:08+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n :1' 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
"1010411","9.2","","9.2","","7.4","","90","","90","","90","","626.3","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","Phosphorus(V) chloride","","- Cl5 P -","- Cl1.75 P -","- Cl7 P4 -","4","0.5","","Powell, H M; Clark, D; Wells, A F","Crystal Structure of Phosphorus Pentachloride","Nature (London)","1940","145","","149","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010933","13.37","0.004","13.37","0.004","6.713","0.002","90","","90","","90","","1200","","","","","","","","","","","","synthetic","6","P 4/n :1","P 4ab -1ab","85","","Magnesium potassium bromide chloride hydrate (1/1/1.5/1.5/6)","Bromcarnallite","- Br1.5 Cl1.5 H12 K Mg O6 -","- Br1.5 Cl1.5 H12 K Mg O6 -","- Br6 Cl6 H48 K4 Mg4 O24 -","4","0.5","","Andress, K R; Saffe, O","Roentgenographische Untersuchung der Mischkristallreihe Karnallit- Bromkarnallit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","451","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509387","4.58","","4.58","","6","","90","","90","","90","","125.858","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","","","- Ag I -","- Ag I -","- Ag2 I2 -","2","0.25","","Kasper, J.S.; Moore, M.J.","Crystal Structure of Ag I at 3 kbar","Journal of Chemical Physics","1968","48","","2446","2450","10.1063/1.1669466","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1517987","6.2154","0.0002","6.2154","0.0002","7.4029","0.0007","90","","90","","90","","285.98","0.03","300","","300","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","","","- D4 O7 P V -","- D4 O7 P V -","- D8 O14 P2 V2 -","2","0.25","","Tachez, Michel; Theobald, Francois; Bernard, Jean; Hewat, Alan W.","Intercalation of water molecules in a layer structure VOPO4. Crystal structure of VOPO4.2D2O","Revue de Chimie Minerale","1982","19","","291","300","","powder diffraction","","1.909","neutron","","","","","","","","","18.6","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528702","6.261","","6.261","","4.101","","90","","90","","90","","160.76","","","","","","","","","","","","","3","P 4/n :1","P 4ab -1ab","85","","(V O) (S O4)","","- O5 S V -","- O5 S V -","- O10 S2 V2 -","2","0.25","","Longo, J.M.; Arnott, R.J.","Structure and magnetic properties of V O S O4","Journal of Solid State Chemistry","1970","1","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529671","7.94","","7.94","","4.21","","90","","90","","90","","265.414","","","","","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","In F3 (H2 O)3","","- F3 H6 In O3 -","- F3 In O3 -","- F6 In2 O6 -","2","0.25","","Bokii, G.B.; Khodashova, T.S.","The X-ray analysis of the crystals In F3 (H2 O)3","Kristallografiya","1956","1","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530245","10.898","","10.898","","6.744","","90","","90","","90","","800.961","","","","","","","","","","","","","3","P 4/n :1","P 4ab -1ab","85","","Ca.3 Sr.7 Cl2","","- Ca0.3 Cl2 Sr0.7 -","- Ca0.3 Cl2 Sr0.7 -","- Ca3 Cl20 Sr7 -","10","1.25","","Lasocha, W.; Eick, H.A.","The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure","Journal of Solid State Chemistry","1988","75","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310500","7.846","","7.846","","3.877","","90","","90","","90","","238.667","","","","","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","Fe F3 (H2 O)3","","- F3 Fe H6 O3 -","- F3 Fe O3 -","- F6 Fe2 O6 -","2","0.25","","Teufer, G.","The crystal structure of beta iron(III) trifluoride trihydrate, beta-Fe F3 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1964","17","","1480","1480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310971","12.118","","12.118","","5.522","","90","","90","","90","","810.883","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","Na K2 Cl S2 O6","","- Cl K2 Na O6 S2 -","- Cl K2 Na O6 S2 -","- Cl4 K8 Na4 O24 S8 -","4","0.5","","Stanley, E.","The Crystal Structures of Two Potassium Sodium Chloride Dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7050340","15.4622","0.0003","15.4621","0.0003","19.2214","0.0004","90","","90","","90","","4595.42","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 4/n :1","P 4ab -1ab","85","","","","- C31 H64 Cl5 Fe5 O9 -","- C31 H64 Cl5 Fe5 O9 -","- C124 H256 Cl20 Fe20 O36 -","4","0.5","","Jaisa Fernandes Soares; David J. Evans; Geraldo R. Friedermann; Peter B. Hitchcock; G. Jeffery Leigh; Giovana G. Nunes; Dayane M. Reis; Eduardo L. Sa","Iron(III) and Titanium(IV) Oxoalkoxide Chemistry: Synthetic, Structural, Magnetochemical and Spectroscopic Studies of [Ti3(m3-OPri)2(m-OPri)3(OPri)6][FeCl4] and [Fe5(m5-O)(m-OPri)8Cl5]","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","x-ray","0.71073","MoKα","","0.0937","0.066","","","0.15","0.1702","","","","","","1.168","","","","has coordinates","180057","2020-10-21","18:00:00",""
"9000129","6.969","","6.969","","17.306","","90","","90","","90","","840.5","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","","Metatorbernite","- Cu H4 O8 P U2 -","- Cu H4 O8 P U2 -","- Cu8 H32 O64 P8 U16 -","8","1","","Ross, M.; Evans, H. T.; Appleman, D. E.","Studies of the torbernite minerals (II): The crystal structure of meta-torbernite","American Mineralogist","1964","49","","1603","1621","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9004562","6.171","","6.171","","5.587","","90","","90","","90","","212.76","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","","Bandylite","- B Cl Cu H4 O4 -","- B Cl Cu H4 O4 -","- B2 Cl2 Cu2 H8 O8 -","2","0.25","","Li, Y.; Burns, P. C.","Refinement of the structure of bandylite","The Canadian Mineralogist","2000","38","","713","715","10.2113/gscanmin.38.3.713","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9007427","6.19","","6.19","","5.61","","90","","90","","90","","214.953","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","","Bandylite","- B Cl Cu H4 O4 -","- B Cl Cu H4 O4 -","- B2 Cl2 Cu2 H8 O8 -","2","0.25","","Collin, R. L.","The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4","Acta Crystallographica","1951","4","","204","209","10.1107/S0365110X51000726","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9008160","13.404","","13.404","","5.451","","90","","90","","90","","979.366","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","","","- Pt12 Si5 -","- Pt12 Si5 -","- Pt48 Si20 -","4","0.5","","Gold, W.; Schubert, K.","Kristallstruktur von Pt12Si5","Zeitschrift fur Kristallographie","1969","128","","406","413","10.1524/zkri.1969.128.3-6.406","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9017046","14.9704","","14.9704","","6.817","","90","","90","","90","","1527.78","","","","","","","","","","","","Jachymov, Czech Republic","6","P 4/n :1","P 4ab -1ab","85","","","Mathesiusite","- H8 K4.916 O33 S4.04 U4 V0.87 -","- H8 K4.916 O33 S4.04 U4 V0.87 -","- H16 K9.832 O66 S8.08 U8 V1.74 -","2","0.25","","Plasil, J.; Veselovsky, F.; Hlousek, J.; Skoda, R.; Novak, M.; Sejkora, J.; Cejka, J.; Skacha, P.; Kasatkin, A. V.","Mathesiusite, K5(UO2)4(SO4)4(VO5)(H2O)4, a new uranyl vanadate-sulfate from Jachymov, Czech Republic","American Mineralogist","2014","99","","625","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""