# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-29T13:22:25+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b m 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
"1008760","7.395","","8.056","","3.728","","90","","90","","90","","222.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Peterson, S W; Levy, H A","Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction","Journal of Chemical Physics","1957","26","","220","221","10.1063/1.1743258","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010979","7.4","","8.06","","3.74","","90","","90","","90","","223.1","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","Copper dichloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","MacGillavry, C H; Bijvoet, J M","Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","231","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011014","7.38","","8.04","","3.72","","90","","90","","90","","220.7","","","","","","","","","","","","synthetic","4","P b m n","-P 2ab 2ab","53","","Copper chloride dihydrate","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Harker, D","The Crystal Structure of Cupric Chloride Dihydrate Cu Cl2 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","93","","136","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1529557","13.122","","13.077","","6.621","","90","","90","","90","","1136.14","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","","Na Ca2 (Al5 Si5 O20) (H2 O)6","","- Al5 Ca2 H12 Na O26 Si5 -","- Al5 Ca2 Na O26 Si5 -","- Al10 Ca4 Na2 O52 Si10 -","2","0.25","","Amirov, S.T.; Amiraslanov, I.R.; Usubaliev, B.T.; Mamedov, H.S.","Refinement of the crystal structure and symmetry of the zeolite-thomsonite","Azerbaidzhanskii Khimicheskii Zhurnal","1978","1978","","120","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533366","12.762","","17.882","","5.249","","90","","90","","90","","1197.88","","","","","","","","","","","","","5","P b m n","-P 2ab 2ab","53","","((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)2","","- Al H9 Mg O15 Si4 -","- Al Mg O15 Si4 -","- Al4 Mg4 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533368","12.72","","17.886","","5.254","","90","","90","","90","","1195.34","","","","","","","","","","","","","7","P b m n","-P 2ab 2ab","53","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)0.975) (C16 N2 O2 H10)0.056","","- C0.896 H7.51 Al Mg N0.112 O14.087 Si4 -","- C0.896 Al Mg N0.112 O14.087 Si4 -","- C3.584 Al4 Mg4 N0.448 O56.348 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533370","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","7","P b m n","-P 2ab 2ab","53","","(((Mg Al) (Si4 O10 (H2 O)2 (O H))) (H2 O)1.32) (C16 N2 O2 H10)0.0567","","- C0.9072 H8.207 Al Mg N0.1134 O14.4334 Si4 -","- C0.906667 Al Mg N0.113333 O14.4333 Si4 -","- C10.88 Al12 Mg12 N1.36 O173.2 Si48 -","12","1.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modelling and powder synchrotron diffraction","European Journal of Mineralogy (1,1989-)","2003","15","","21","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9005566","12.762","","17.882","","5.249","","90","","90","","90","","1197.88","","","","","","","","","","","","","4","P b m n","-P 2ab 2ab","53","","","Palygorskite","- H9 Mg2 O15 Si4 -","- H9 Mg2 O15 Si4 -","- H36 Mg8 O60 Si16 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005568","12.72","","17.886","","5.254","","90","","90","","90","","1195.34","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","","","Maya Blue","- C1.764 H7.92 Mg4 N0.224 O28.174 Si8 -","- C1.764 H13.9 Mg4 N0.224 O28.174 Si8 -","- C3.528 H27.8 Mg8 N0.448 O56.348 Si16 -","2","0.25","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: Op+indigo","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005570","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","","","Maya Blue","- C2.72 H27 Mg6 N0.34 O43.3 Si12 -","- C2.72 H20.92 Mg6 N0.34 O43.3 Si12 -","- C10.88 H83.68 Mg24 N1.36 O173.2 Si48 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP (3 cells+indigo)","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9005684","12.672","","17.875","","5.236","","90","","90","","90","","1186.02","","","","","","","","","","","","Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico","8","P b m n","-P 2ab 2ab","53","","","Palygorskite (deuterated)","- Al0.82 D5.02 Fe0.12 H1.8 K0.02 Mg1.08 O15.5 Si3.96 -","- Al0.82 D5.02 Fe0.12 H5 K0.02 Mg1.08 O15.5 Si3.96 -","- Al3.28 D20.08 Fe0.48 H20 K0.08 Mg4.32 O62 Si15.84 -","4","0.5","","Guistetto, R.; Chiari, G.","Crystal structure refinement of palygorskite from neutron powder diffraction Mexico Note: Occupancies created to match reported formula","European Journal of Mineralogy","2004","16","","521","532","10.1127/0935-1221/2004/0016-0521","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9010720","12.709","","17.896","","15.775","","90","","90","","90","","3587.87","","","","","","","","","","","","","6","P b m n","-P 2ab 2ab","53","Maya Blue","","","- C2.72 H26.5 Mg6 N0.34 O43.3 Si12 -","- C2.72 H24.62 Mg6 N0.34 O43.3 Si12 -","- C10.88 H98.48 Mg24 N1.36 O173.2 Si48 -","4","0.5","","Chiari, G.; Giustetto, R.; Ricchiardi, G.","Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP (3 cells+indigo)","European Journal of Mineralogy","2003","15","","21","33","10.1127/0935-1221/2003/0015-0021","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9010753","12.636","","17.868","","5.223","","90","","90","","90","","1179.25","","","","","","","","","","","","","9","P b m n","-P 2ab 2ab","53","Maya Blue","","","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C0.8 H1.1 Al0.82 D5.02 Fe0.06 Mg1.12 N0.1 O14.65 Si4 -","- C3.2 H4.4 Al3.28 D20.08 Fe0.24 Mg4.48 N0.4 O58.6 Si16 -","4","0.5","","Giustetto, R.; Levy, D.; Chiari, G.","Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction Locality: starting palygorskite from Chapas, Mexico","European Journal of Mineralogy","2006","18","","629","640","10.1127/0935-1221/2006/0018-0629","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9011489","7.4141","","8.0886","","3.7458","","90","","90","","90","","224.634","","","","","","","","","","","","Synthetic","4","P b m n","-P 2ab 2ab","53","","","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Brownstein, S.; Han, N. F.; Gabe, E.; LePage, Y.","A redetermination of the crystal structure of cupric chloride dihydrate","Zeitschrift fur Kristallographie","1989","189","","13","15","10.1524/zkri.1989.189.1-2.13","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9014721","13.0809","","13.0597","","6.6051","","90","","90","","90","","1128.37","","","","","","","","","","","","Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy","6","P b m n","-P 2ab 2ab","53","","","Thomsonite-Ca","- Al2.5 Ca0.773 H5.66 Na0.7 O12.83 Si2.5 -","- Al2.5 Ca0.773 H5.66 Na0.7 O12.83 Si2.5 -","- Al10 Ca3.092 H22.64 Na2.8 O51.32 Si10 -","4","0.5","","Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M.","Crystal structure and low-temperature behavior of ""disordered"" thomsonite T = 295.5 K","American Mineralogist","2010","95","","495","502","10.2138/am.2010.3353","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015097","14.387","","21.011","","4.046","","90","","90","","90","","1223.05","","","","","","","","","","","","Alice Arm, British Columbia, Canada","4","P b m n","-P 2ab 2ab","53","","","Nuffieldite","- Bi2.5 Cu Pb2.5 S7 -","- Bi2.5 Cu Pb2.5 S7 -","- Bi20 Cu8 Pb20 S56 -","8","1","","Kohatsu, I.; Wuensch, B. J.","The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7","Zeitschrift fur Kristallographie","1973","138","","343","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016113","13.0603","","13.0456","","6.5981","","90","","90","","90","","1124.18","","","","","","","","","","","","Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy","6","P b m n","-P 2ab 2ab","53","","","Thomsonite-Ca","- Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 -","- Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 -","- Al10 Ca3.192 H22.792 Na2.704 O51.396 Si10 -","4","0.5","","Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M.","Crystal structure and low-temperature behavior of ""disordered"" thomsonite T = 98.0 K","American Mineralogist","2010","95","","495","502","10.2138/am.2010.3353","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""