# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:54:55+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n -3 m :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
"1000063","4.252","0.002","4.252","0.002","4.252","0.002","90","","90","","90","","76.9","","","","","","","","","","","","synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Neuburger, M C","Praezisionsmessung der Gitterkonstante von Cuprooxyd Cu2 O","Zeitschrift fuer Physik","1930","67","","845","850","10.1007/BF01390765","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010311","5.525","0.005","5.525","0.005","5.525","0.005","90","","90","","90","","168.7","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0416667","","Sillen, L G","X-Ray Studies of Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010486","4.718","","4.718","","4.718","","90","","90","","90","","105","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Silver oxide","","- Ag2 O -","- Ag2 O -","- Ag4 O2 -","2","0.0416667","","Niggli, P","Die Kristallstruktur einiger Oxyde I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","253","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010515","9.35","","9.35","","9.35","","90","","90","","90","","817.4","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Triammonium zirconium fluoride","","- F7 H12 N3 Zr -","- F7 H12 N3 Zr -","- F28 H48 N12 Zr4 -","4","0.0833333","","Hassel, O; Mark, H","Ueber die Struktur der isomorphen Verbindungen (N H~4~)~3~ Zr F~7~ und (N H~4~)~3~ Hf F~7.~","Zeitschrift fuer Physik","1924","27","","89","101","10.1007/BF01328017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010873","12.141","0.005","12.141","0.005","12.141","0.005","90","","90","","90","","1789.6","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Trihydrogen dodecatungstophosphate","","- H3 O40 P W12 -","- H3 O40 P W12 -","- H6 O80 P2 W24 -","2","0.0416667","","Keggin, J F","The Structure and Formula of 12-Phosphotungstic Acid","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","144","","75","100","10.1098/rspa.1934.0035","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010941","4.26","","4.26","","4.26","","90","","90","","90","","77.3","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Niggli, P","Die Kristallstruktur einiger Oxyde I.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","253","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010963","4.258","0.004","4.258","","4.258","","90","","90","","90","","77.2","","","","","","","","","","","","synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","Copper(I) oxide","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Yamaguti, T","An investigation on oxidation of crystal surfaces with electron diffraction method, II.- copper single crystals","Proceedings of the Physico-Mathematical Society of Japan","1938","20","","230","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011277","5.92","","5.92","","5.92","","90","","90","","90","","207.5","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Magnesium phosphide","","- Mg3 P2 -","- Mg3 P2 -","- Mg6 P4 -","2","0.0416667","","Passerini, L","Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti","Gazzetta Chimica Italiana","1928","58","","655","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509592","4.95","","4.95","","4.95","","90","","90","","90","","121.287","","","","","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag1.43 Au0.66 S -","- Ag1.428 Au0.664 S -","- Ag2.856 Au1.328 S2 -","2","0.0416667","","Folmer, J.C.W.; Hofman, P.; Wiegers, G.A.","Order-disorder transitions in the system Ag2-x Aux S (0<x<1)","Journal of the Less-Common Metals","1976","48","","251","268","10.1016/0022-5088(76)90007-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509602","4.91","","4.91","","4.91","","90","","90","","90","","118.371","","","","","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag1.58 Au0.426 S -","- Ag1.584 Au0.426 S -","- Ag3.168 Au0.852 S2 -","2","0.0416667","","Wiegers, G.A.; Hofman, P.; Folmer, J.C.W.","Order-disorder transitions in the system Ag2-x Aux S (0< x< 1)","Journal of the Less-Common Metals","1976","48","","251","268","10.1016/0022-5088(76)90007-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509606","4.98","","4.98","","4.98","","90","","90","","90","","123.506","","","","","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag1.626 Au1.14 S -","- Ag1.626 Au1.14 S -","- Ag3.252 Au2.28 S2 -","2","0.0416667","","Wiegers, G.A.; Hofman, P.; Folmer, J.C.W.","Order-disorder transitions in the system Ag2-x Aux S (0<x<1)","Journal of the Less-Common Metals","1976","48","","251","268","10.1016/0022-5088(76)90007-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509607","4.94","","4.94","","4.94","","90","","90","","90","","120.554","","","","","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag1.63 Au0.55 S -","- Ag1.632 Au0.552 S -","- Ag3.264 Au1.104 S2 -","2","0.0416667","","Hofman, P.; Wiegers, G.A.; Folmer, J.C.W.","Order-disorder transitions in the system Ag2-x Aux S (0<x<1)","Journal of the Less-Common Metals","1976","48","","251","268","10.1016/0022-5088(76)90007-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509608","4.93","","4.93","","4.93","","90","","90","","90","","119.823","","","","","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag1.66 Au0.444 S -","- Ag1.656 Au0.444 S -","- Ag3.312 Au0.888 S2 -","2","0.0416667","","Hofman, P.; Wiegers, G.A.; Folmer, J.C.W.","Order-disorder transitions in the system Ag2-x Aux S (0<x<1)","Journal of the Less-Common Metals","1976","48","","251","268","10.1016/0022-5088(76)90007-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510461","5.02057","","5.02057","","5.02057","","90","","90","","90","","126.549","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Au2 S -","- Au2 S -","- Au4 S2 -","2","0.0416667","","Isonaga, T.; Ishikawa, K.; Wakita, S.; Suzuki, Y.","Structure and electrical properties of Au2 S","Solid State Ionics","1995","79","","60","66","10.1016/0167-2738(95)00030-A","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4328521","6.14879","0.00018","6.14879","0.00018","6.14879","0.00018","90","","90","","90","","232.471","0.012","295","","295","","","","","","","","","3","P n -3 m :1","P 4n 2 3 -1n","224","","","","- C2 Mn N2 -","- C2 Mn1.001 N2 -","- C4 Mn2.002 N4 -","2","0.0416667","","Christopher M. Kareis; Saul H. Lapidus; Peter W. Stephens; Joel S. Miller","Interpenetrating Three-Dimensional Diamondoid Lattices and Antiferromagnetic Ordering (Tc= 73 K) of MnII(CN)2","Inorganic Chemistry","2012","51","","3046","3050","10.1021/ic202393d","powder diffraction","","0.700031","synchrotron","","","","","","","","","","1.23","","","","","","","has coordinates","179388","2020-10-21","18:00:00",""
"7109247","4.904","","4.904","","4.904","","90","","90","","90","","117.937","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Ag2 O3 -","- Ag2 O3 -","- Ag4 O6 -","2","0.0416667","","Stehlik, B.; Vlach, J.; Weidenthaler, P.","Kristallstruktur von Silber(III)-Oxyd","Collection of Czechoslovak Chemical Communication","1959","24","","1581","1588","10.1135/cccc19591581","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9007497","4.2685","","4.2685","","4.2685","","90","","90","","90","","77.772","","","","","","","","","","","","Synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Kirfel, A.; Eichhorn, K.","Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset.","Acta Crystallographica, Section A","1990","46","4","271","284","10.1107/S0108767389012596","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9016611","3.3","","3.3","","3.3","","90","","90","","90","","35.937","","","","","","","","","","","","Synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","","Ice VII","- H2 O -","- H2 O -","- H4 O2 -","2","0.0416667","","Kamb, B.; Davis, B. L.","Ice VII, the densest form of ice Note: T = 223 K, P = 2.5 GPa","Proceedings of the National Academy of Sciences","1964","52","","1433","1439","10.1073/pnas.52.6.1433","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""