# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T02:03:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21/n 1 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
"2020047","8.959","","13.677","","9.777","","90","","90","","90","","1198","","","","","","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","(Pt Br2 (C2 H6 O S)2)","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","","Loevqvist, K.","cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-bis(dimethyl sulfoxide-S)diiodoplatinum(II)","Acta Crystallographica C (39,1983-)","1996","52","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2105662","10.231","0.001","7.873","0.001","13.906","0.001","90","0.007","90","","90","","1120.1","0.2","213","","213","","","","","","","","","3","P 21/n 1 1","-P 2xn","14","","","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","1","SH0100","Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L.","Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases","Acta Crystallographica Section B","1998","54","3","197","203","10.1107/S0108768197012032","","","0.5608","AgKα","","","0.0363","","","0.0411","","","","","1.42","1.42","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2108672","13.673","0.002","8.396","0.002","14.317","0.003","90.57","0.02","90","","90","","1643.5","0.6","100","2","100","2","","","","","","","","5","P 21/n 1 1","-P 2xn","14","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C24 H64 N16 O48 P16 -","8","2","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0411","0.0318","","","0.0774","0.0833","","","","","","1.042","","","","has coordinates,has Fobs","256763","2020-10-21","18:00:00",""
"2219455","8.5844","0.0003","8.2084","0.0003","5.9258","0.0002","90.13","0.002","90","","90","","417.56","0.03","293","2","293","2","","","","","","","","5","P 21/n 1 1","-P 2xn","14","Olivenite","","","- As0.92 Cu2 H O5 P0.08 -","- As0.916 Cu2 H O5 P0.084 -","- As3.664 Cu8 H4 O20 P0.336 -","4","1","WM2187","Li, Chen; Yang, Hexiong; Downs, Robert T.","Redetermination of olivenite from an untwinned single-crystal","Acta Crystallographica Section E","2008","64","9","i60","i61","10.1107/S1600536808026676","","","0.71073","MoKα","","0.0267","0.0202","","","0.0434","0.0455","","","","","","1.098","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"4132332","5.5573","0.0016","3.221","0.0011","6.278","0.002","90","","90","","90","","112.38","0.06","293","","293","","","","","","","","","2","P 21/n 1 1","-P 2xn","14","","","","- Ir Si -","- Ir Si -","- Ir4 Si4 -","4","1","","Mitchell Warden, Hillary E.; Fredrickson, Daniel C.","Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10473","","x-ray","0.71075","MoKα","","0.0633","0.0331","","","0.0663","0.0838","","","","1.23","1.23","1.04","","","","has coordinates","242316","2020-10-21","18:00:00",""
"7123758","12.2339","0.0002","8.562","0.0001","15.2029","0.0003","100.244","0.002","90","","90","","1567.07","0.05","293","2","293","2","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","","","- C6 H20 Cl4 N2 O2 Zn -","- C6 H20 Cl4 N2 O2 Zn -","- C24 H80 Cl16 N8 O8 Zn4 -","4","1","","Yuan, Wei; Zeng, Ying; Tan, Ya-Yin; Zhou, Jianhua; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","A New Ferroelastic Hybrid Material with a Large Spontaneous Strain: (Me3NOH)2[ZnCl4]","Chemical Communications","2019","","","","","10.1039/C9CC03862K","","","1.54178","CuKα","","0.0414","0.0393","","","0.1125","0.1162","","","","","","1.08","","","","has coordinates","216679","2020-10-21","18:00:00",""
"9004388","8.5894","","8.2073","","5.9285","","90.088","","90","","90","","417.934","","","","","","","","","","","","","3","P 21/n 1 1","-P 2xn","14","","","Olivenite","- As Cu2 O5 -","- As Cu2 O5 -","- As4 Cu8 O20 -","4","1","","Burns, P. C.; Hawthorne, F. C.","Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure Note: The sign of Cu1-z coordinate changed.","The Canadian Mineralogist","1995","33","","885","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005584","12.776","","9.869","","6.026","","90.15","","90","","90","","759.794","","","","","","","","","","","","Capo Calamita, Elba island, Tuscany, Italy","4","P 21/n 1 1","-P 2xn","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","","Merlino, S.; Perchiazzi, N.; Franco, D.","Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_2 polytype","European Journal of Mineralogy","2003","15","","267","275","10.1127/0935-1221/2003/0015-0267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:38",""
"9011171","8.615","","8.24","","5.953","","90","","90","","90","","422.589","","","","","","","","","","","","","4","P 21/n 1 1","-P 2xn","14","","","Olivenite","- As Cu2 H O5 -","- As Cu2 H O5 -","- As4 Cu8 H4 O20 -","4","1","","Toman, K.","The symmetry and crystal structure of olivenite Sample: alpha = .23","Acta Crystallographica, Section B","1977","33","","2628","2631","10.1107/S0567740877009042","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"9011172","8.615","","8.24","","5.953","","90","","90","","90","","422.589","","","","","","","","","","","","","4","P 21/n 1 1","-P 2xn","14","","","Olivenite","- As Cu2 H O5 -","- As Cu2 H O5 -","- As4 Cu8 H4 O20 -","4","1","","Toman, K.","The symmetry and crystal structure of olivenite Sample: alpha = .00","Acta Crystallographica, Section B","1977","33","","2628","2631","10.1107/S0567740877009042","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"9011399","8.5844","","8.2084","","5.9258","","90.13","","90","","90","","417.556","","","","","","","","","","","","Majuba Hill, Pershing County, Nevada, USA","5","P 21/n 1 1","-P 2xn","14","","","Olivenite","- As0.916 Cu2 H O5 P0.084 -","- As0.916 Cu2 H O5 P0.084 -","- As3.664 Cu8 H4 O20 P0.336 -","4","1","","Li, C.; Yang, H.; Downs, R. T.","Redetermination of olivenite from an untwinned single-crystal Note: RRUFF ID: R040181","Acta Crystallographica, Section E","2008","64","","i60","i61","10.1107/S1600536808026676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""