# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-17T09:38:05+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'P n a m' 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 "1000108","7.8974","0.0003","7.9076","0.0003","14.7227","0.0004","90","","90","","90","","919.4","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Barium fluorodizirconate dihydrate","","- Ba F10 H4 O2 Zr2 -","- Ba F10 H4 O2 Zr2 -","- Ba4 F40 H16 O8 Zr8 -","4","0.5","","Gao, Y; Guery, J; Le Bail, A; Jacoboni, C","Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr~2~F~10~ . 2H~2~O by X-ray powder thermodiffractometry","Journal of Solid State Chemistry","1992","98","","11","24","10.1016/0022-4596(92)90065-4","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001131","9.326","","18.412","","3.798","","90","","90","","90","","652.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Caesium dititanium niobium oxide","","- Cs Nb O7 Ti2 -","- Cs Nb O7 Ti2 -","- Cs4 Nb4 O28 Ti8 -","4","0.5","","Hervieu, M; Raveau, B","A Layer Structure: The Titanoniobate Cs Ti~2~ Nb O~7~","Journal of Solid State Chemistry","1980","32","","161","165","10.1016/0022-4596(80)90562-9","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001158","11.9866","0.0011","15.55","0.0015","5.3197","0.0013","90","","90","","90","","991.5","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Octaphosphorus dodecatungsten 52-oxide","","- O52 P8 W12 -","- O52 P8 W12 -","- O52 P8 W12 -","1","0.125","","Domenges, B; Goreaud, M; Labbe, P; Raveau, B","P~8~ W~12~ O~52~: A Mixed-Valence Tungsten Oxide Built up from W O~6~ Octahedra and P~2~ O~7~ Groups","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1724","1728","10.1107/S0567740882007031","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001382","9.265","","10.945","","3.01","","90","","90","","90","","305.2","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Calcium iron(III) tin(IV) oxide (.75/1.5/.5/4)","","- Ca0.75 Fe1.5 O4 Sn0.5 -","- Ca0.75 Fe1.5 O4 Sn0.5 -","- Ca3 Fe6 O16 Sn2 -","4","0.5","","Archaimbault, F.; Odier, P.; Choisnet, J.","Non-stoichiometric compounds with a defect CaFe~2~O~4~ structure: The mixed ferrites Ca~1-x/2~Fe~2-x~Sn~x~O~4~ and Ca~1-(x+y)/2~Li~y~Fe~2-x~Sn~x~O~4~","Solid State Ionics","1988","28","","1357","1363","10.1016/0167-2738(88)90387-6","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","200092","2020-10-21","18:00:00","" "1001437","9.285","0.003","10.869","0.005","3.02","0.001","90","","90","","90","","304.8","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Hemicalcium hemilithium hemiiron(III) hemitin(IV) oxide","","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca2 Fe6 Li2 O16 Sn2 -","4","0.5","","Archaimbault, F; Choisnet, J; Hervieu, M; Raveau, B","De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe~2~ O~4~: Les Oxydes Ca~1-x~ Li~x~ (Fe~2-x~ Sn~ ~x) O~4~ (0 < x <=0.60)","Annales de Chimie (Paris) (Vol=Year)","1987","12","","23","32","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1001499","10.0411","0.0002","11.6975","0.0005","3.4006","0.0005","90","","90","","90","","399.4","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium dithallate","","- O4 Sr Tl2 -","- O4 Sr Tl2 -","- O16 Sr4 Tl8 -","4","0.5","","Michel, C; Hervieu, M; Raveau, B; Li, S; Greaney, M; Fine, S; Potenza, J; Greenblatt, M","SrTl~2~O~4~, a semi-metal with the CaFe~2~O~4~ structure","Materials Research Bulletin","1991","26","","123","128","10.1016/0025-5408(91)90001-3","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001512","9.35","","11.382","","2.993","","90","","90","","90","","318.5","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Sodium iron(III) titanium antimony(V) oxide (.9/1.2/.5/.3/4)","","- Fe1.175 Na0.875 O4 Sb0.3 Ti0.525 -","- Fe1.175 Na0.875 O4 Sb0.3 Ti0.525 -","- Fe4.7 Na3.5 O16 Sb1.2 Ti2.1 -","4","0.5","","Archaimbault, F; Choisnet, J","The defect solution Na~7/8~(Fe^III^~7/8+x~Ti^IV^~9/8$~/2~x~Sb^V^~x~)O~4~(0N-triacetato-κ^3^O,O'',O'''')oxoperoxovanadate(V)‒water (1/2)","Acta Crystallographica Section C","1993","49","5","867","870","10.1107/S0108270192011843","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002193","10.72","","11.361","","3.84","","90","","90","","90","","467.7","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Dineodymium titanium oxide","","- Nd2 O5 Ti -","- Nd2 O5 Ti -","- Nd8 O20 Ti4 -","4","0.5","","Mueller-Buschbaum, Hk; Scheunemann, K","Zur Kenntnis von Nd2 Ti O5","Journal of Inorganic and Nuclear Chemistry","1973","35","","1091","1098","10.1016/0022-1902(73)80181-2","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002244","9.98","","11.73","","3.345","","90","","90","","90","","391.6","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium diytterbium oxide","","- O4 Sr Yb2 -","- O4 Sr Yb2 -","- O16 Sr4 Yb8 -","4","0.5","","Mueller-Buschbaum, Hk; Schenck, R von","Untersuchungen an Sr Yb2 O4, Ca Yb2 O4 und Ca Lu2 O4: Ein Beitrag zur Kristallstruktur des Calciumferrat(III) Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","377","","70","78","10.1002/zaac.19703770109","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002245","9.74","","11.594","","3.316","","90","","90","","90","","374.5","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Calcium diytterbium oxide","","- Ca O4 Yb2 -","- Ca O4 Yb2 -","- Ca4 O16 Yb8 -","4","0.5","","Mueller-Buschbaum, Hk; Schenck, R von","Untersuchungen an Sr Yb2 O4, Ca Yb2 O4 und Ca Lu2 O4: Ein Beitrag zur Kristallstruktur des Calciumferrat(III) Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","377","","70","78","10.1002/zaac.19703770109","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002246","9.731","","11.573","","3.304","","90","","90","","90","","372.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Calcium dilutetium oxide","","- Ca Lu2 O4 -","- Ca Lu2 O4 -","- Ca4 Lu8 O16 -","4","0.5","","Mueller-Buschbaum, Hk; Schenck, R von","Untersuchungen an Sr Yb2 O4, Ca Yb2 O4 und Ca Lu2 O4: Ein Beitrag zur Kristallstruktur des Calciumferrat(III) Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","377","","70","78","10.1002/zaac.19703770109","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002260","6.07","","5.85","","8.45","","90","","90","","90","","300.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Lanthanum erbium oxide","","- Er La O3 -","- Er La O3 -","- Er4 La4 O12 -","4","0.5","","Mueller-Buschbaum, Hk; Graebner, P H","Zur Kristallstruktur von La Er O3 und La Lu O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","386","","158","162","10.1002/zaac.19713860205","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002261","9.809","","11.449","","3.265","","90","","90","","90","","366.7","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium diindium oxide","","- In2 O4 Sr -","- In2 O4 Sr -","- In8 O16 Sr4 -","4","0.5","","Schenck, R von; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung an Sr In2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","398","","24","30","10.1002/zaac.19733980104","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002282","10.08","","11.91","","3.4","","90","","90","","90","","408.2","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium diyttrium oxide","","- O4 Sr Y2 -","- O4 Sr Y2 -","- O16 Sr4 Y8 -","4","0.5","","Mueller-Buschbaum, H","Zur Kenntnis von Sr Y2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","358","","138","146","10.1002/zaac.19683580305","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002283","9.65","","11.2","","3.16","","90","","90","","90","","341.5","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Calcium discandium oxide","","- Ca O4 Sc2 -","- Ca O4 Sc2 -","- Ca4 O16 Sc8 -","4","0.5","","Mueller-Buschbaum, H; Schnering, H G von","Zur Kenntnis des Ca Sc2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","336","","295","305","10.1002/zaac.19653360510","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002288","10.1","","11.98","","3.45","","90","","90","","90","","417.4","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Strontium diterbium oxide","","- O4 Sr Tb2 -","- O4 Sr Tb2 -","- O16 Sr4 Tb8 -","4","0.5","","Paletta, E; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Sr Tb2 O4","Journal of Inorganic and Nuclear Chemistry","1968","30","","1425","1432","10.1016/0022-1902(68)80281-7","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002546","7.133","0.011","14.093","0.005","17.16499","0.006","90","","90","","90","","1725.5","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Nonabarium digold(III) oxide","","- Au2 Ba9 O12 -","- Au2 Ba9 O12 -","- Au8 Ba36 O48 -","4","0.5","","Weinreich, J; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba9 Au2 O12","Journal of Alloys Compd.","1992","184","","187","193","10.1016/0925-8388(92)90466-M","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002715","10.5358","0.0011","11.3002","0.0017","3.7771","0.0005","90","","90","","90","","449.7","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Dieuropium titanium oxide","","- Eu2 O5 Ti -","- Eu2 O5 Ti -","- Eu8 O20 Ti4 -","4","0.5","","Mueller-Buschbaum, Hk; Werner, J - P","Zur Kenntnis von Eu2 Ti O5","Journal of Alloys Compd.","1994","206","","L11","L13","10.1016/0925-8388(94)90024-8","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2003447","17.088","0.005","19.691","0.006","20.392","0.006","90","","90","","90","","6861","4","115","","115","","","","","","","","Cram et al. (1987)","5","P n a m","-P 2c 2n","62","","Octamethoxy-octamethylnonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1 ^17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39-tetracosaene cesium perchlorate dichloromethane clathrate","","- C65 H66 Cl3 Cs O12 -","- C65 H66 Cl6 Cs O12 -","- C260 H264 Cl24 Cs4 O48 -","4","0.5","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.152","0.091","","0.108","0.079","","","","1.62","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2006158","14.814","0.003","9.623","0.002","7.309","0.002","90","","90","","90","","1041.9","0.4","290","","290","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0407","0.024","","0.0674","0.0623","","","","0.993","1.051","1.051","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2006159","14.726","0.005","9.646","0.007","7.219","0.003","90","","90","","90","","1025.4","0.9","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0374","0.0233","","0.0619","0.057","","","","1.042","1.089","1.089","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2007647","13.052","0.018","5.9892","0.0019","13.542","0.003","90","","90","","90","","1058.6","1.5","293","2","293","2","","","","","","","","6","P n a m","-P 2c 2n","62","bis(thiourea)cadmium chloride","Bis(thiourea)cadmium bromide","","- C2 H8 Br2 Cd N4 S2 -","- C2 H8 Br2 Cd N4 S2 -","- C8 H32 Br8 Cd4 N16 S8 -","4","0.5","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.132","0.0553","","","","0.191","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00","" "2007677","6.4274","0.001","11.826","0.002","17.616","0.002","90","","90","","90","","1339","0.3","122.4","0.5","122.4","0.5","","","","","","","","4","P n a m","-P 2c 2n","62","methylammonium hydrogen maleate","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","AB1534","Madsen, Dennis; Larsen, Sine","Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion","Acta Crystallographica Section C","1998","54","10","1507","1511","10.1107/S0108270198003606","","","0.71073","MoKα","","0.074","0.05","","0.075","0.072","","","","2.203","2.439","2.439","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2007955","9.952","0.003","14.687","0.002","11.599","0.005","90","","90","","90","","1695.4","0.9","293","2","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","Cesium-zinc-iodide","Tricesium-zinc-pentaiodide","","- Cs3 I5 Zn -","- Cs3 I5 Zn -","- Cs12 I20 Zn4 -","4","0.5","JZ1293","Friese, K.; Madariaga, G.; Breczewski, T.","Tricaesium Tetraiodozincate(II) Iodide, Cs~3~ZnI~5~","Acta Crystallographica Section C","1998","54","12","1737","1739","10.1107/S0108270198008361","","","0.71073","MoKα","","0.056","0.051","","0.136","0.1312","","","","1.106","1.127","1.127","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2009363","12.8909","0.0007","11.1618","0.0006","6.811","0.0003","90","","90","","90","","980.01","0.09","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","","3-methoxyimino-quinuclidinium chloride","","- C8 H15 Cl N2 O -","- C6 H13.5 Cl0.5 N O0.5 -","- C24 H54 Cl2 N4 O2 -","4","0.5","AB1095","Schouten, A.; Kanters, J.A.; Kroon, J.; Plate, R.; Kelder, J.","Structure of Org 32763: 3-methoxyiminoquinuclidinium chloride","Acta Crystallographica Section C","1994","50","1","128","129","10.1107/S0108270193007504","","","0.71073","MoKα","","","0.0386","","","0.0395","","","","","0.43","0.43","","","","","has coordinates","209447","2020-10-21","18:00:00","" "2010641","10.5062","0.0005","8.594","0.0004","6.3562","0.0003","90","","90","","90","","573.9","0.05","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","1-methyl-3-nitro-pyrazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","0.5","NA1434","Foces-Foces, C.; Jagerovic, N.; Elguero, J.","Weak C‒H···O and C‒H···N interactions in nitropyrazoles","Acta Crystallographica Section C","2000","56","2","215","218","10.1107/S0108270199013876","","","1.54178","CuKα","","0.043","0.043","","0.045","","0.045","","","1.016","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2020342","8.3777","","11.276","","6.434","","90","","90","","90","","607.8","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 (Se O4)","","- Cs2 O4 Se -","- Cs2 O4 Se -","- Cs8 O16 Se4 -","4","0.5","","Zuniga, F.J.; Breczewski, T.; Arnaiz, A.","Structure of cesium selenate","Acta Crystallographica C (39,1983-)","1991","47","","638","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2101429","10.35","0.004","13.028","0.002","6.816","0.001","90","","90","","90","","919.1","0.4","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C6 H15 Br N2 O2 -","- C6 H15 Br N2 O2 -","- C24 H60 Br4 N8 O8 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101430","10.179","0.003","12.781","0.004","6.713","0.002","90","","90","","90","","873.3","0.5","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C6 H15 Cl N2 O2 -","- C6 H15 Cl N2 O2 -","- C24 H60 Cl4 N8 O8 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101432","10.267","0.001","15.305","0.007","6.873","0.002","90","","90","","90","","1080","0.6","","","","","","","","","","","","5","P n a m","-P 2c -2n","","","","","- C7 H16 I N O3 -","- C7 H16 I N O3 -","- C28 H64 I4 N4 O12 -","4","0.5","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2101997","9.732","0.003","13.328","0.004","7.654","0.003","90","","90","","90","","992.8","0.6","","","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","","Rubidium Tetra Bromo Cobaltate","","- Br2 Co0.5 Rb -","- Br2 Co0.5 Rb -","- Br16 Co4 Rb8 -","8","1","SH0133","Friese, K.; Madariaga, G.; Breczewski, T.","Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K","Acta Crystallographica Section B","2000","56","1","17","21","10.1107/S0108768199010629","","","0.71073","MoKα","","0.0778","0.0414","","","","0.1003","","","","","","0.81","","","","has coordinates","176432","2020-10-21","18:00:00","" "2101998","9.691","0.004","13.278","0.005","7.63","0.006","90","","90","","90","","981.8","0.9","200","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Br4 Co Rb2 -","- Br4 Co Rb2 -","- Br16 Co4 Rb8 -","4","0.5","SH0133","Friese, K.; Madariaga, G.; Breczewski, T.","Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K","Acta Crystallographica Section B","2000","56","1","17","21","10.1107/S0108768199010629","","","0.71073","MoKα","","0.0515","0.2971","","0.0375","","","","","1.77","0.88","0.88","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2104201","15.07","0.003","9.3026","0.0019","22.008","0.004","90","","90","","90","","3085.3","1","295","2","295","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C9 H30 Cl9 P3 Sb2 -","- C9 H21 Cl9 P3 Sb2 -","- C36 H84 Cl36 P12 Sb8 -","4","0.5","BM5058","Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard","From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction","Acta Crystallographica Section B","2008","64","5","558","566","10.1107/S0108768108027353","","","0.71073","MoKα","","0.0811","0.0311","","","0.0819","0.1069","","","","","","1.043","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104426","11.00713","0.00011","11.40018","0.00011","3.94377","0.00004","90","","90","","90","","494.877","0.009","293","1","293","1","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.764","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2104427","11.04452","0.00011","11.2842","0.00011","3.96519","0.00004","90","","90","","90","","494.176","0.009","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.2 La2 O4.9 Ti0.8 -","- Ga0.2 La2 O4.9 Ti0.8 -","- Ga0.8 La8 O19.6 Ti3.2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.719","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104428","11.09937","0.00019","11.14255","0.00017","3.98321","0.00005","90","","90","","90","","492.625","0.013","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.5 La2 O4.75 Ti0.5 -","- Ga0.5 La2 O4.75 Ti0.5 -","- Ga2 La8 O19 Ti2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.647","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104429","11.13674","0.00016","11.06383","0.00015","3.98631","0.00005","90","","90","","90","","491.173","0.011","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.7 La2 O4.65 Ti0.3 -","- Ga0.7 La2 O4.65 Ti0.3 -","- Ga2.8 La8 O18.6 Ti1.2 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.862","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2104430","11.17394","0.00016","10.99713","0.00014","3.98992","0.00005","90","","90","","90","","490.286","0.011","293","1","293","1","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ga0.9 La2 O4.55 Ti0.1 -","- Ga0.9 La2 O4.55 Ti0.1 -","- Ga3.6 La8 O18.2 Ti0.4 -","4","0.5","KD5032","Kasunič, Marta; Meden, Anton; Škapin, Srečo D.; Suvorov, Danilo; Golobič, Amalija","Order‒disorder of oxygen anions and vacancies in solid solutions of La~2~TiO~5~ and La~4~Ga~2~O~9~","Acta Crystallographica Section B","2009","65","5","558","566","10.1107/S010876810902833X","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.926","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2105593","7.976","0.004","10.692","0.001","6.057","0.002","90","","90","","90","","516.5","0.3","293","","297","","","","","","","","","3","P n a m","-P 2c 2n","62","","rubidium dichromate","","- Cr O4 Rb2 -","- Cr O4 Rb2 -","- Cr4 O16 Rb8 -","4","0.5","LI0250","Aleksovska, S.; Nyburg, S. C.; Pejov, Lj.; Petrusevski, V. M.","β-K~2~SO~4~-Type Isomorphs: Prediction of Structures and Refinement of Rb~2~CrO~4~","Acta Crystallographica Section B","1998","54","2","115","120","10.1107/S010876819701152X","","","0.7093","MolybdenumKα","","0.051","0.051","","0.062","0.062","","","","","8.46","8.46","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2106358","7.661","","10.466","","6.003","","90","","90","","90","","481.321","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","K2 (Se O4)","","- K2 O4 Se -","- K2 O4 Se -","- K8 O16 Se4 -","4","0.5","","Kalman, A.; Stephens, J.S.; Cruickshank, D.W.J.","The crystal structure of K2 Se O4","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1451","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106572","9.902","","18.7","","4.095","","90","","90","","90","","758.261","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Er Se F","","- Er F Se -","- Er F Se -","- Er12 F12 Se12 -","12","1.5","","Nguyen, H.D.; Dagron, C.; Laruelle, P.","Etude structurale des polytypes a deux anions L Se F (L= Y, Ho, Er ) . I. Structure cristalline du polytype orthorhombique a six couches du fluoroseleniure d'erbium Er Se F 60","Acta Crystallographica B (24,1968-38,1982)","1975","31","","514","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106988","11.5014","","13.4695","","3.7284","","90","","90","","90","","577.597","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ca Sc2 S4","","- Ca S4 Sc2 -","- Ca S4 Sc2 -","- Ca4 S16 Sc8 -","4","0.5","","Ijdo, D.J.W.","Some Ternary Scandium Sulphides. Structure Refinement by Powder Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1549","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106989","11.6352","","13.6523","","3.7799","","90","","90","","90","","600.427","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Sr Sc2 S4","","- S4 Sc2 Sr -","- S4 Sc2 Sr -","- S16 Sc8 Sr4 -","4","0.5","","Ijdo, D.J.W.","Some Ternary Scandium Sulphides. Structure Refinement by Powder Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1549","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106990","11.6595","","13.6933","","3.7531","","90","","90","","90","","599.209","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Pb Sc2 S4","","- Pb S4 Sc2 -","- Pb S4 Sc2 -","- Pb4 S16 Sc8 -","4","0.5","","Ijdo, D.J.W.","Some Ternary Scandium Sulphides. Structure Refinement by Powder Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1549","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107038","16.495","","23.843","","4.031","","90","","90","","90","","1585.35","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Eu3 Sb4 S9","","- Eu3 S9 Sb4 -","- Eu3 S9 Sb4 -","- Eu12 S36 Sb16 -","4","0.5","","Lemoine, P.; Guittard, M.; Carre, D.","Structure du sulfure d'europium et d'antimoine Eu3 Sb4 S9","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1281","1284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2107046","17.576","","8.948","","16.776","","90","","90","","90","","2638.36","","","","","","","","","","","","","7","P n a m","-P 2c 2n","62","","(C2 H8 N4 S2)2 (Cl5 (H2 O) Re) Cl3 (H2 O)2","","- C4 H22 Cl8 N8 O3 Re S4 -","- C4 H22 Cl8 N8 O3 Re S4 -","- C16 H88 Cl32 N32 O12 Re4 S16 -","4","0.5","","Lis, T.","Structure of Bis(dithiobisformamidinium) Aquapentachlororhenate(IV) Trichloride Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2782","2784","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107099","9.912","","6.314","","4.08","","90","","90","","90","","255.344","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Y F Se","","- F Se Y -","- F Se Y -","- F4 Se4 Y4 -","4","0.5","","Nguyen, H.D.","Structure cristalline du fluoroseleniure d'yttrium orthorhombique Y Se F1O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2095","2097","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2107403","7.659","","14.613","","6.875","","90","","90","","90","","769.457","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cu3 (Mo2 O9)","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","0.5","","Kihlborg, L.; Norrestam, R.","The symmetry of Cu3 Mo2 O9","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3097","3097","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2109007","16.8658","0.0005","9.3282","0.0003","3.63523","0.0001","90","","90","","90","","571.92","0.03","298","","298","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- H2 O8 V3 -","- H2 O8 V3 -","- H8 O32 V12 -","4","0.5","","Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone","Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006473","powder diffraction","","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.6453","","","","","","","","has coordinates,has Fobs","276888","2022-07-23","03:43:47","" "2109008","16.879","0.0012","9.3325","0.0005","3.64357","0.00019","90","","90","","90","","573.95","0.06","298","","298","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- H2 Mo0.15 O8 V2.85 -","- H2 Mo0.15692 O8 V2.84308 -","- H8 Mo0.62768 O32 V11.3723 -","4","0.5","","Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone","Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006473","powder diffraction","","","'CuKα","","","","","","","","","7.0756","","","","","","","","has coordinates,has Fobs","276888","2022-07-23","03:43:48","" "2200851","9.305","0.009","10.101","0.002","17.454","0.002","90","","90","","90","","1640.5","1.6","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","N,N-Dimethyl-N',N''-bis(4-methylphenyl)phosphoramidate","","- C16 H22 N3 O P -","- C16 H22 N3 O P -","- C64 H88 N12 O4 P4 -","4","0.5","CF6140","Gholivand, Khodayar; Tadjarodi, Azadeh; Ng, Seik Weng","N,N-Dimethyl-N',N''-bis(4-methylphenyl)phosphoramidate","Acta Crystallographica Section E","2002","58","2","o200","o201","10.1107/S1600536802001587","","","0.71073","MoKα","","0.1043","0.0509","","","0.1297","0.1562","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2204284","13.485","0.003","15.107","0.003","6.515","0.0013","90","","90","","90","","1327.2","0.5","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C11 H14 N4 O6 -","- C11 H14 N4 O6 -","- C44 H56 N16 O24 -","4","0.5","CF6364","Moghimi, S. Abolghasem; Sharif, Mahboubeh A.; Aghabozorg, Hossein","Creatininium dipicolinate monohydrate","Acta Crystallographica Section E","2004","60","10","o1790","o1792","10.1107/S1600536804022482","","","0.71073","MoKα","","0.1152","0.0483","","","0.1357","0.1624","","","","","","1.03","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00","" "2208790","8.2829","0.0007","9.5671","0.0009","9.7824","0.0009","90","","90","","90","","775.19","0.12","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","Morpholinium hydrogensulfate","","- C4 H11 N O5 S -","- C4 H11 N O5 S -","- C16 H44 N4 O20 S4 -","4","0.5","BH6070","Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin","Morpholinium hydrogensulfate","Acta Crystallographica Section E","2006","62","5","o2084","o2085","10.1107/S1600536806014802","","","0.71073","MoKα","","0.0436","0.0433","","","0.1025","0.1026","","","","","","1.153","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2239377","15.6587","0.0005","6.9359","0.0003","30.1928","0.0016","90","","90","","90","","3279.2","0.2","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","[N,N'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^N,N']dibromidonickel(II)","","- C36 H40 Br2 N2 Ni -","- C36 H40 Br2 N2 Ni -","- C144 H160 Br8 N8 Ni4 -","4","0.5","","Yuan, Jianchao; Xia, Jingjing; Xu, Weibing; Mu, Yanqiong","[N,N'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^N,N']dibromidonickel(II)","Acta Crystallographica Section E","2014","70","3","m102","","10.1107/S160053681400292X","","","0.71073","MoKα","","0.0736","0.043","","","0.0853","0.096","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00","" "2310063","13.19","","13.74","","4.57","","90","","90","","90","","828.224","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag Cl3","","- Ag Cl3 Cs2 -","- Ag Cl3 Cs2 -","- Ag4 Cl12 Cs8 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2310064","14.39","","15.16","","5.02","","90","","90","","90","","1095.12","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag I3","","- Ag Cs2 I3 -","- Ag Cs2 I3 -","- Ag4 Cs8 I12 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2310326","9.046","","12.579","","6.882","","90","","90","","90","","783.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl16 K8 Zn4 -","4","0.5","","Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.","Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations","Acta Crystallographica Section A","2001","57","3","264","271","10.1107/S0108767300017955","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310450","8.864","","14.02","","3.747","","90","","90","","90","","465.652","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Sn (Sn S3)","","- S3 Sn2 -","- S3 Sn2 -","- S12 Sn8 -","4","0.5","","Mootz, D.; Puhl, H.","Die Kristallstruktur von Sn2 S3","Acta Crystallographica (1,1948-23,1967)","1967","23","","471","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2310493","13.71","","12.36","","8.21","","90","","90","","90","","1391.23","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Pb3 (U O6)","","- O6 Pb3 U -","- O6 Pb3 U -","- O48 Pb24 U8 -","8","1","","Sterns, M.","The crystal structure of Pb3 U O6","Acta Crystallographica (1,1948-23,1967)","1967","23","","264","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310517","7.793","","9.207","","4.43","","90","","90","","90","","317.853","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Sn Cl2","","- Cl2 Sn -","- Cl2 Sn -","- Cl8 Sn4 -","4","0.5","","van den Berg, J.M.","The crystal structure of Sn Cl2","Acta Crystallographica (1,1948-23,1967)","1961","14","","1002","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310556","9.23","","7.18","","4.94","","90","","90","","90","","327.381","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","P2 O5","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. VI. P2 O5, Form III","Acta Crystallographica (1,1948-23,1967)","1964","17","","679","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2310647","12.997","","8.031","","10.414","","90","","90","","90","","1087","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","(N3 Co (N H3)5) (N3)2","","- Co H15 N14 -","- Co H15 N14 -","- Co4 H60 N56 -","4","0.5","","Palenik, G.J.","The Structure of Coordination Compounds I. The Crystal and Molecular Structure of Azidopentamminecobalt(III) Azide","Acta Crystallographica (1,1948-23,1967)","1964","17","","360","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00","" "2310665","6.1484","","7.0173","","3.6698","","90","","90","","90","","158.334","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ti Ni Si","","- Ni Si Ti -","- Ni Si Ti -","- Ni4 Si4 Ti4 -","4","0.5","","Shoemaker, C.B.; Shoemaker, D.P.","A ternary alloy with Pb Cl2 - type structure: Ti Ni Si(e)","Acta Crystallographica (1,1948-23,1967)","1965","18","","900","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310798","8.26","","9.79","","3.97","","90","","90","","90","","321.036","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Sb S Br","","- Br S Sb -","- Br S Sb -","- Br4 S4 Sb4 -","4","0.5","","Christofferson, G.D.; McCullough, J.D.","The crystal structure of antimony(III) sulfobromide, Sb S Br","Acta Crystallographica (1,1948-23,1967)","1959","12","","14","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311075","9.2","","9.45","","3.01","","90","","90","","90","","261.689","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","(Mg3 Ti) (B O3)2 O2","","- B2 Mg3 O8 Ti -","- B2 Mg3 O8 Ti -","- B4 Mg6 O16 Ti2 -","2","0.25","","Takeuchi, Y.; Ito, T.; Watanabe, T.","The crystal structures of warwickite, ludwigite and pinakiolite","Acta Crystallographica (1,1948-23,1967)","1950","3","","98","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311762","8.09423","0.00009","9.40452","0.00016","9.54481","0.00018","90","","90","","90","","726.57","0.02","130","","130","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.1651","0.0586","","","0.0682","0.0733","","","","3.9","3.9","2.73","","","","has coordinates","246101","2020-10-21","18:00:00","" "2311763","8.131","0.00012","9.40719","0.00022","9.58445","0.00029","90","","90","","90","","733.11","0.03","160","","160","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C16 H40 B4 F16 N4 O4 -","4","0.5","","Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas","Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","836","843","10.1107/S2052520617009398","","x-ray","0.71069","MoKα","","0.0976","0.0495","","","0.0649","0.069","","","","3.14","3.14","2.44","","","","has coordinates","246101","2020-10-21","18:00:00","" "4000624","11.00922","0.00019","11.40631","0.00019","3.94327","0.00006","90","","90","","90","","495.175","0.021","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","2.17","","","","","","","has coordinates","277952","2022-09-18","01:03:30","" "4030191","9.331","0.004","10.97","0.005","3.06","0.001","90","","90","","90","","313.2","0.2","","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Fe Na O4 Sn -","- Fe Na O4 Sn -","- Fe4 Na4 O16 Sn4 -","4","0.5","","Archaimbault, F.; Choisnet, J.; Rautureau, M.","New ferriantimonates with the CaFe2O4 type structure : Na2Fe3SbO8 and the isomorphous series Na2Fe(2+x)Sn(2-2x)SbxO8 (O<=x<=1)","European Journal of Solid State and Inorganic Chemistry","1988","25","","573","587","","","x-ray","1.54056","CuKα","","","","","","","","","0.035","","","","","","","","has coordinates","178480","2020-10-21","18:00:00","" "4030192","9.249","0.003","10.839","0.009","3.013","0.002","90","","90","","90","","302.1","0.3","","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Fe3 Na2 O8 Sb -","- Fe3 Na2 O8 Sb -","- Fe6 Na4 O16 Sb2 -","2","0.25","","Archaimbault, F.; Choisnet, J.; Rautureau, M.","New ferriantimonates with the CaFe2O4 type structure : Na2Fe3SbO8 and the isomorphous series Na2Fe(2+x)Sn(2-2x)SbxO8 (O<=x<=1)","European Journal of Solid State and Inorganic Chemistry","1988","25","","573","587","","","x-ray","1.54056","CuKα","","","","","","","","","0.034","","","","","","","","has coordinates","178480","2020-10-21","18:00:00","" "4031413","12.213","","14.151","","7.012","","90","","90","","90","","1211.86","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","(N H4)3 (Rh Cl6) (H2 O)","","- Cl6 H14 N3 O Rh -","- Cl6 H14 N3 O Rh -","- Cl24 H56 N12 O4 Rh4 -","4","0.5","","Bukanova, A.E.; Sidorova, T.P.; Sergienko, V.S.; Porai-Koshits, M.A.; Shubochkin, L.K.; Belan, V.N.","Preparation and crystal structure of (N H4)3 (Rh Cl6) (H2 O), a product of the reaction of rhodium chloride with L-aspargine","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1988","33","","379","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00","" "4031480","14.131","","6.764","","12.9","","90","","90","","90","","1233.01","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Fe2 (C O)6 (S2 C O)","","- C7 Fe2 O7 S2 -","- C7 Fe2 O7 S2 -","- C28 Fe8 O28 S8 -","4","0.5","","Nametkin, N.S.; Kolobkov, B.I.; Dustov, H.B.; Tyurin, V.D.; Muratov, A.N.; Tashev, M.T.; Mavlonov, M.; Nekhaev, A.I.; Lebedev, A.V.; Sideridu, A.Ya.; Aleksandrov, G.G.","Synthesis and Structure of Dithiodiiron Heptacarbonyl","Journal of Organometallic Chemistry","1984","276","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4031599","8.936","","7.31","","27.956","","90","","90","","90","","1826.15","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","(N H4)3 (Ni2 (N O3)7)","","- H12 N10 Ni2 O21 -","- H12 N10 Ni2 O21 -","- H48 N40 Ni8 O84 -","4","0.5","","Morozov, I.V.; Fedorova, A.A.; Rodionova, T.A.; Troyanov, S.I.","Synthesis and Crystal Structure of (NH4)3[Mn(NO3)4]NO3, (NH4)2[Zn(NO3)4], and (NH4)3[Ni2(NO3)7] Ammonium Nitratometallates","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2003","48","","985","985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4067226","5.8129","0.0009","11.2427","0.0019","14.979","0.002","90","","90","","90","","978.9","0.3","100","2","100","2","","","","","","","synthesis as described","5","P n a m","-P 2c 2n","62","","","","- C4 H14 K N Si2 -","- C4 H14 K N Si2 -","- C16 H56 K4 N4 Si8 -","4","0.5","","Sarazin, Yann; Roşca, Dragoş; Poirier, Valentin; Roisnel, Thierry; Silvestru, Anca; Maron, Laurent; Carpentier, Jean-François","Bis(dimethylsilyl)amide Complexes of the Alkaline-Earth Metals Stabilized by β-Si−H Agostic Interactions: Synthesis, Characterization, and Catalytic Activity","Organometallics","2010","29","23","6569","","10.1021/om100908q","","x-ray","0.71073","MoKα","","0.0394","0.0327","","","0.0791","0.0822","","","","","","1.071","","","","has coordinates","178563","2020-10-21","18:00:00","" "4069683","17.4924","0.0001","20.2251","0.0002","26.9637","0.0003","90","","90","","90","","9539.37","0.15","293","2","293","2","","","","","","","synthesis as described","6","P n a m","-P 2c 2n","62","","","","- C96 H99 F6 Fe2 P5 Ru -","- C96 H99 F6 Fe2 P5 Ru -","- C384 H396 F24 Fe8 P20 Ru4 -","4","0.5","","Tanaka, Yuya; Shaw-Taberlet, Jennifer A.; Justaud, Frédéric; Cador, Olivier; Roisnel, Thierry; Akita, Munetaka; Hamon, Jean-René; Lapinte, Claude","Electronic and Magnetic Couplings in Free and π-Coordinated 1,4-Diethynylnaphthalene-Bridged [Cp*(dppe)Fe]n+(n= 0, 1) Units","Organometallics","2009","28","16","4656","","10.1021/om900352q","","x-ray","0.71073","MoKα","","0.085","0.0581","","","0.1665","0.1894","","","","","","1.056","","","","has coordinates","178585","2020-10-21","18:00:00","" "4070056","14.0059","0.0004","14.7701","0.0005","17.7253","0.0006","90","","90","","90","","3666.8","0.2","150","2","150","2","","","","","","","","7","P n a m","-P 2c 2n","62","","","","- C21 H45 Cu I4 N9 O3 P3 -","- C21 H45 Cu I4 N9 O3 P3 -","- C84 H180 Cu4 I16 N36 O12 P12 -","4","0.5","","Kirillov, Alexander M.; Smoleński, Piotr; Ma, Zhen; da Silva, M. Fátima C. Guedes; Haukka, Matti; Pombeiro, Armando J. L.","Copper(I) Iodide Complexes Derived fromN-Alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, Crystal Structures, Photoluminescence, and Identification of the Unprecedented {Cu3I5}2−Cluster","Organometallics","2009","28","22","6425","","10.1021/om900591q","","","0.71073","MoKα","","0.0688","0.0515","","","0.1289","0.1397","","","","","","1.061","","","","has coordinates","178589","2020-10-21","18:00:00","" "4070061","14.0059","0.0004","14.7701","0.0005","17.7253","0.0006","90","","90","","90","","3666.8","0.2","150","2","150","2","","","","","","","","7","P n a m","-P 2c 2n","62","","","","- C21 H45 Cu I4 N9 O3 P3 -","- C21 H45 Cu I4 N9 O3 P3 -","- C84 H180 Cu4 I16 N36 O12 P12 -","4","0.5","","Vicente, José; Shenoy, Rashmi V.; Martínez-Viviente, Eloísa; Jones, Peter G.","Synthesis of Mono-, Di-, and Tripalladated 1,3,5-Benzenetricarboxaldehyde Complexes","Organometallics","2009","28","20","6101","","10.1021/om9005966","","","0.71073","MoKα","","0.0688","0.0515","","","0.1289","0.1397","","","","","","1.061","","","","has coordinates","178589","2020-10-21","18:00:00","" "4080187","26.465","0.0019","11.1898","0.0008","12.9222","0.0009","90","","90","","90","","3826.8","0.5","150","","150","","","","","","","","","7","P n a m","-P 2c 2n","62","","","","- C50 H119 Li2 N4 O10 Si4 Th2 -","- C50 H123 Li2 N4 O10 Si4 Th2 -","- C100 H246 Li4 N8 O20 Si8 Th4 -","2","0.25","","Hayes, Cassandra E.; Sarazin, Yann; Katz, Michael J.; Carpentier, Jean-François; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Initiators for Lactide Ring-Opening Polymerization","Organometallics","2013","32","5","1183","","10.1021/om300993r","","","0.71073","MoKα","","0.1247","0.0824","","0.079","0.075","0.0742","","","","","","3.5262","","","","has coordinates","178690","2020-10-21","18:00:00","" "4089322","12.42","0.0004","13.7856","0.0005","20.4785","0.0005","90","","90","","90","","3506.27","0.19","173","2","173","2","","","","","","","synthesis as described","5","P n a m","-P 2c 2n","62","[Sn{C3H3O(C2H5)}{C(SiMe3)2SiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C25 H60 O Si6 Sn -","- C25 H60 O Si6 Sn -","- C100 H240 O4 Si24 Sn4 -","4","0.5","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0591","0.0558","","","0.128","0.1296","","","","","","1.26","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27","" "4100641","9.5634","0.0002","13.7333","0.0004","22.4731","0.0007","90","","90","","90","","2951.55","0.14","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C35 H30 N2 O7 U -","- C35 H30 N2 O7 U -","- C140 H120 N8 O28 U4 -","4","0.5","","Nissinen Maija; Cametti Massimo; Dalla Cort Antonella; Rissanen Kari; Mandolini Luigi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "4100642","9.6034","0.0001","13.323","0.0002","23.3439","0.0003","90","","90","","90","","2986.76","0.07","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C36 H29 N3 O6 U -","- C36 H29 N3 O6 U -","- C144 H116 N12 O24 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00","" "4111186","14.3327","0.0001","16.482","0.0002","7.28","0.0001","90","","90","","90","","1719.77","0.03","300","","300","","","","","","","","","5","P n a m","-P 2c 2n","62","Bis(acetonitrile)tetracyanoethanide(1-)iron(II) tetrachloroferrate(III)","","","- C10 H6 Cl4 Fe2 N6 -","- C5 H3 Cl2 Fe N3 -","- C40 H24 Cl16 Fe8 N24 -","8","1","","Konstantin I. Pokhodnya; Michael Bonner; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Magnetic Ordering (Tc= 90 K) Observed for Layered [FeII(TCNE.-)(NCMe)2]+[FeIIICl4]- (TCNE = Tetracyanoethylene)","Journal of the American Chemical Society","2006","128","","15592","15593","10.1021/ja066744f","powder diffraction","","0.690779","","","","","","","","","","0.012","1.277","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4114229","29.048","0.007","10.888","0.002","26.642","0.006","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C87 H74 Ce N12 -","- C87 H74 Ce N12 -","- C348 H296 Ce4 N48 -","4","0.5","","Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng","Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands","Journal of the American Chemical Society","2003","125","","12257","12267","10.1021/ja036017+","","","0.71073","MoKα","","0.1443","0.074","","","0.2022","0.2634","","","","","","1.063","","","","has coordinates","178913","2020-10-21","18:00:00","" "4115606","14.108","0.0003","9.847","0.0003","21.782","0.0004","90","","90","","90","","3025.99","0.13","130","2","130","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C128 H200 N8 Pt4 -","4","0.5","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0516","0.0348","","","0.0835","0.0892","","","","","","1.065","","","","has coordinates","178927","2020-10-21","18:00:00","" "4122856","18.1928","0.0001","8.7226","0.0001","19.6128","0.0001","90","","90","","90","","3112.33","0.04","150","","150","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C31 H36 B Mn N2 O5 -","- C31 H36 B Mn N2 O5 -","- C124 H144 B4 Mn4 N8 O20 -","4","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0251","0.0243","","0.0674","0.0667","0.0674","","","","","","0.9873","","","","has coordinates","176467","2020-10-21","18:00:00","" "4123982","10.58","","12.66","","3.86","","90","","90","","90","","517.019","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Co (N O)2 I","","- Co I N2 O2 -","- Co I N2 O2 -","- Co4 I4 N8 O8 -","4","0.5","","Dahl, L.F.; de Gil, E.R.; Feltham, R.D.","The solid-state structures of dinitrosyliron iodide and dinitrosylcobalt iodide: the stereochemical consequences of strong metal-metal interactions in ligand-bridged complexes","Journal of the American Chemical Society","1969","91","","1653","1664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4124510","9.7599","","12.3967","","7.6091","","90","","90","","90","","920.629","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","McGinnety, J.A.","Cesium Tetrachlorocuprate. Structure, Crystal Forces, and Charge Distribution","Journal of the American Chemical Society","1972","94","","8406","8413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4125626","12.478","0.005","10.528","0.005","21.296","0.005","90","0.005","90","0.005","90","0.005","2797.6","1.9","200","2","200","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C28 H40 Fe N4 O2 -","- C28 H40 Fe N4 O2 -","- C112 H160 Fe4 N16 O8 -","4","0.5","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71069","MoKα","","0.0477","0.0371","","","0.1027","0.1189","","","","","","1.19","","","","has coordinates","193027","2020-10-21","18:00:00","" "4130581","17.796","0.003","11.1352","0.0017","4.5144","0.0006","90","","90","","90","","894.6","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C2 H6 I2 O2 Pb S -","- C2 H6 I2 O2 Pb S -","- C8 H24 I8 O8 Pb4 S4 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.1052","0.0617","","","0.1171","0.1406","","","","","","1.102","","","","has coordinates,has disorder","240981","2020-10-21","18:00:00","" "4306979","19.0696","0.0014","11.0596","0.0008","11.4266","0.0009","90","","90","","90","","2409.9","0.3","298","2","298","2","","","","","","","","6","P n a m","-P 2c 2n","62","","catena-tetrakis(N,N'-pyrimidin-2-olate)-biscopper(ii)-rubidium nitrate- -hydrate-methanol solvate","","- C8.5 H9 Cu N4.5 O4.5 Rb0.5 -","- C8.5 H5 Cu N4.417 O4.168 Rb0.417 -","- C68 H40 Cu8 N35.336 O33.344 Rb3.336 -","8","1","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structural and Magnetic Properties of Layered Copper(II) Coordination Polymers Intercalating s and f Metal Ions","Inorganic Chemistry","2007","46","","2988","2997","10.1021/ic061384i","","","0.71073","MoKα","","0.1133","0.0788","","","0.2081","0.2436","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00","" "4306980","19.044","0.002","11.037","0.001","11.451","0.003","90","","90","","90","","2406.9","0.7","298","2","298","2","","","","","","","","6","P n a m","-P 2c 2n","62","","catena-tetrakis(N,N'-pyrimidin-2-olate)-biscopper(ii)-tallium nitrate- -methanol solvate","","- C8.5 H8 Cu N4.5 O4 Tl0.5 -","- C8.5 H6 Cu N4.408 O3.724 Tl0.408 -","- C68 H48 Cu8 N35.264 O29.792 Tl3.264 -","8","1","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structural and Magnetic Properties of Layered Copper(II) Coordination Polymers Intercalating s and f Metal Ions","Inorganic Chemistry","2007","46","","2988","2997","10.1021/ic061384i","","","0.71073","MoKα","","0.1019","0.0622","","","0.1423","0.1622","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00","" "4312548","9.993","0.002","13.285","0.003","16.04","0.003","90","0","90","0","90","0","2129.4","0.8","","","","","","","","","","","","7","P n a m","-P 2c 2n","62","","aqua[N,N-bis-(2-(6-methyl)pyridylmethyl)glicinate]manganese(II)","","- C16 H20 F6 Mn N3 O3 P -","- C16 H20 F6 Mn N3 O3 P -","- C64 H80 F24 Mn4 N12 O12 P4 -","4","0.5","","Stéphanie Durot; Clotilde Policar; Giorgio Pelosi; Franco Bisceglie; Talal Mallah; Jean-Pierre Mahy","Structural and Magnetic Properties of Carboxylato-Bridged Manganese(II) Complexes Involving Tetradentate Ligands: Discrete Complex and 1D Polymers. Dependence of J on the Nature of the Carboxylato Bridge","Inorganic Chemistry","2003","42","","8072","8080","10.1021/ic026130l","","","","","","","0.0647","","0.1797","","","","","","","","","","","","has coordinates","259535","2020-12-04","06:05:01","" "4313782","8.9325","0.0012","15.792","0.0021","18.362","0.004","90","","90","","90","","2590.2","0.7","293","","293","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C16 H24 Au2 Cu N12 -","- C16 H24 Au2 Cu N12 -","- C64 H96 Au8 Cu4 N48 -","4","0.5","","Carolyn J. Shorrock; Howard Jong; Raymond J. Batchelor; Daniel B. Leznoff","[Au(CN)4]- as a Supramolecular Building Block for Heterobimetallic Coordination Polymers","Inorganic Chemistry","2003","42","","3917","3924","10.1021/ic0341441","","","0.71073","MolybdenumKα","","","0.035","","","0.044","","","","","1.08","1.08","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4318830","14.084","0.003","14.799","0.004","25.725","0.005","90","","90","","90","","5362","2","295","","295","","","","","","","","?","6","P n a m","-P 2c 2n","62","","","","- C36 H48 B3 Fe4 N27 O9 -","- C36 H29 B3 Fe4 N27 O9 -","- C144 H116 B12 Fe16 N108 O36 -","4","0.5","","Rodrigue Lescouëzec; Jacqueline Vaissermann; Francesc Lloret; Miguel Julve; Michel Verdaguer","Ferromagnetic Coupling between Low- and High-Spin Iron(III) Ions in the Tetranuclear Complex fac-{[FeIII{HB(pz)3}(CN)2(μ-CN)]3FeIII(H2O)3}. 6H2O ([HB(pz)3]-= Hydrotris(1-pyrazolyl)borate)","Inorganic Chemistry","2002","41","","5943","5945","10.1021/ic020374o","","","0.71069","MoKα","","","0.0548","","","0.0646","","","","","1.2","1.2","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4325522","11.839","0.002","13.792","0.003","19.361","0.003","90","","90","","90","","3161.3","1","200","2","200","2","","","","","","","synthesis as described","5","P n a m","-P 2c 2n","62","","","","- C30 H45 N O3 Ti3 -","- C30 H45 N O3 Ti3 -","- C120 H180 N4 O12 Ti12 -","4","0.5","","Sonia Aguado-Ullate; Jorge J. Carbó; Octavio González-del Moral; Avelino Martín; Miguel Mena; Josep.-M. Poblet; Cristina Santamaría","Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model","Inorganic Chemistry","2011","50","","6269","6279","10.1021/ic2006327","","x-ray","0.71073","MoKα","","0.0722","0.0494","","","0.1219","0.1375","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4327809","8.785","0.003","17.013","0.008","4.249","0.001","90","","90","","90","","635.1","0.4","293","2","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Ba2 S3 Zn -","- Ba2 S3 Zn -","- Ba8 S12 Zn4 -","4","0.5","","Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi","Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds","Inorganic Chemistry","2012","51","","397","404","10.1021/ic201773e","","","0.71073","MoKα","","0.079","0.0369","","","0.0578","0.0638","","","","","","0.825","","","","has coordinates","179381","2020-10-21","18:00:00","" "4327811","8.7577","0.0008","16.9725","0.0015","4.2528","0.0004","90","","90","","90","","632.14","0.1","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ba2 Co0.38 S3 Zn0.62 -","- Ba2 Co0.38 S3 Zn0.62 -","- Ba8 Co1.52 S12 Zn2.48 -","4","0.5","","Francesco Mezzadri; Edmondo Gilioli; Gianluca Calestani; Andrea Migliori; Mark R. Harrison; David A. Headspith; M. Grazia Francesconi","Using High Pressure to Prepare Polymorphs of the Ba2Co1-xZnxS3 (0 <= x <= 1.0) Compounds","Inorganic Chemistry","2012","51","","397","404","10.1021/ic201773e","","","0.71073","MoKα","","0.0559","0.0369","","","0.0675","0.0729","","","","","","1.018","","","","has coordinates","179381","2020-10-21","18:00:00","" "4330474","7.5359","0.0003","7.5524","0.0003","18.305","0.0009","90","","90","","90","","1041.81","0.08","293","","293","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C4 H6 Mn2 O8 P2 S -","- C4 H6 Mn2 O8 P2 S -","- C16 H24 Mn8 O32 P8 S4 -","4","0.5","","Jean-Michel Rueff; Olivier Perez; Alain Pautrat; Nicolas Barrier; Gary B. Hix; Sylvie Hernot; Hélène Couthon-Gourvès; Paul-Alain Jaffrès","Structural Study of Hydrated/Dehydrated Manganese Thiophene-2,5-diphosphonate Metal Organic Frameworks, Mn2(O3P-C4H2S-PO3).2H2O","Inorganic Chemistry","2012","51","","10251","10261","10.1021/ic301187y","","","0.71069","MoKα","","0.0743","0.0443","","","0.0738","0.0824","","","","1.48","1.48","1.37","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "4336825","13.7482","0.0004","5.03162","0.00015","8.2123","0.0003","90","","90","","90","","568.09","0.03","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ho1.8 La0.2 O7 Si2 -","- Ho1.8 La0.2 O7 Si2 -","- Ho7.2 La0.8 O28 Si8 -","4","0.5","","Alberto J. Fernández-Carrión; Mathieu Allix; Manuel Ocaña; Jorge García-Sevillano; Fernando Cusso; Andrew N. Fitch; Emmanuelle Suard; Ana I. Becerro","Crystal Structures and Photoluminescence across the La2Si2O7-Ho2Si2O7 System","Inorganic Chemistry","2013","52","","13469","13479","10.1021/ic401867c","powder diffraction","neutron","1.594","","","0.0164","0.0163","","0.0202","0.0202","","","","1.64","","","","","","","has coordinates,has Fobs","288070","2023-12-06","12:50:55","" "4342988","12.698","0.003","14.273","0.004","17.008","0.004","90","","90","","90","","3082.5","1.3","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C23 H31 Cl Cu2 N10 -","- C23 H31 Cl Cu2 N10 -","- C92 H124 Cl4 Cu8 N40 -","4","0.5","","Xu, Zhenghu; Han, Lu Lu; Zhuang, Gui Lin; Bai, Jing; Sun, Di","In situ construction of three anion-dependent cu(i) coordination networks as promising heterogeneous catalysts for azide-alkyne ""click"" reactions.","Inorganic chemistry","2015","54","10","4737","4743","10.1021/acs.inorgchem.5b00110","","","0.71073","MoKα","","0.1308","0.0758","","","0.2085","0.2572","","","","","","0.981","","","","has coordinates","138127","2020-10-21","18:00:00","" "4342990","11.406","0.005","14.981","0.007","16.867","0.008","90","","90","","90","","2882","2","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C23 H31 Cu2 I N10 -","- C23 H31 Cu2 I N10 -","- C92 H124 Cu8 I4 N40 -","4","0.5","","Xu, Zhenghu; Han, Lu Lu; Zhuang, Gui Lin; Bai, Jing; Sun, Di","In situ construction of three anion-dependent cu(i) coordination networks as promising heterogeneous catalysts for azide-alkyne ""click"" reactions.","Inorganic chemistry","2015","54","10","4737","4743","10.1021/acs.inorgchem.5b00110","","","0.71073","MoKα","","0.0474","0.0332","","","0.0819","0.0895","","","","","","1.05","","","","has coordinates,has disorder","138127","2020-10-21","18:00:00","" "4344359","13.962","","9.308","","7.312","","90","","90","","90","","950.255","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","(Ru (N H3)4 (S O2) Cl) Cl","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Vogt, L. H.; Wiberley, S. E.; Katz, J. L.","The Crystal and Molecular Structure of Ruthenium-Sulfur Dioxide Coordination Compounds. I. Chlorotetraammine(sulfur dioxide)ruthenium(II) Chloride","Inorganic Chemistry","1965","4","","1157","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00","" "6000627","17.4973","","11.3655","","7.2769","","90","","90","","90","","1447.12","","","","","","","","","","","","","5","P n a m","","","","","","- H8 N2 O17 P4 V3 -","","","","","","Trommer, J.; Worzala, H.; Rabe, S.; Schneider, M.","Structural investigations of ammonium vanadium diphosphates by X-ray powder diffraction","Journal of Solid State Chemistry","1998","136","","181","192","10.1006/jssc.1997.7673","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7003402","17.6011","0.0011","23.6529","0.0018","29.306","0.002","90","","90","","90","","12200.6","1.5","120","","120","","","","","","","","","7","P n a m","-P 2c 2n","62","","","","- C83.5 H159.25 Cl5 Fe10 N2 Na O44.625 -","- C83 H157 Cl4 Fe10 N2 Na O44 -","- C332 H628 Cl16 Fe40 N8 Na4 O176 -","4","0.5","","Ferguson, Alan; McGregor, Julie; Parkin, Andrew; Murrie, Mark","Linking iron(iii) carboxylates into high-nuclearity complexes by using Bis-tris","Dalton Transactions","2008","","6","731","733","10.1039/b715932c","","","0.71073","MoKα","","0.1696","0.0702","","0.1147","0.0815","0.1147","","","","","","0.9936","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7009792","7.127","0.001","7.323","0.001","21.292","0.004","90","","90","","90","","1111.3","0.3","293","","293","","","","","","","","","6","P n a m","-P 2c 2n","62","","imidazolium iron(III) hydrogen phosphate hydrate","","- C1.5 H5.5 Fe0.5 N O5 P -","- C1.5 H5.5 Fe0.5 N O5 P -","- C12 H44 Fe4 N8 O40 P8 -","8","1","","Cowley, Andrew R.; Chippindale, Ann M.","Ambient-temperature syntheses of layered iron(III) phosphates in silica gels","Journal of the Chemical Society, Dalton Transactions","2000","","19","3425","","10.1039/b003618h","","","1.5418","CuKα","","","0.0575","","","0.0682","","","","","1.0808","1.0808","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7012108","8.389","0.002","10.537","0.002","18.202","0.004","90","","90","","90","","1609","0.6","200","","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","Tl(hfa)xdiglyme","","","- C11 H15 F6 O5 Tl -","- C11 H15 F6 O5 Tl -","- C44 H60 F24 O20 Tl4 -","4","0.5","","Malandrino, Graziella; Borzì, Anna M.; Castelli, Francesco; Fragalà, Ignazio L.; Dastrù, Walter; Gobetto, Roberto; Rossi, Patrizia; Dapporto, Paolo","Synthesis, crystal structure and mass transport properties of novel thallium ion precursors for MOCVD applications","Dalton Transactions","2003","","3","369","","10.1039/b207470b","","","1.5418","CuKα","","0.0786","0.0757","","","0.1771","0.1807","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00","" "7014623","9.1574","0.0012","21.172","0.003","12.8437","0.0015","90","","90","","90","","2490.1","0.6","120","2","120","2","","","","","","","","5","P n a m","-P 2c 2n","62","Cd Complex","","","- C24 H30 Cd Cl2 N6 -","- C24 H30 Cd Cl2 N6 -","- C96 H120 Cd4 Cl8 N24 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1525","0.0581","","","0.0867","0.1063","","","","","","0.764","","","","has coordinates","179850","2020-10-21","18:00:00","" "7027743","29.281","0.009","8.567","0.003","21.389","0.007","90","","90","","90","","5365","3","298","2","298","2","","","","","","","","7","P n a m","-P 2c 2n","62","","Bis(triphenylphosphine)tris(mu-pyridazine)dicopper(I) hexafluorophosphate dichloromethane adduct (1/1)","","- C49 H44 Cl2 Cu2 F12 N6 P4 -","- C49 H44 Cl2 Cu2 F12 N6 P4 -","- C196 H176 Cl8 Cu8 F48 N24 P16 -","4","0.5","","Batsanov, Andrei S.; Begley, Michael J.; George, Michael W.; Hubberstey, Peter; Munakata, Meguma; Russell, Claire E.; Walton, Paul H.","The role of hydrogen-bonding interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒pyridazine‒nitrile systems †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4251","","10.1039/a906192d","","","0.71073","MoKα","","","0.063","","","0.09","","","","","1.0223","1.0223","","","","","has coordinates","179983","2020-10-21","18:00:00","" "7054686","10.7003","0.001","12.7871","0.0009","18.4091","0.0017","90","","90","","90","","2518.8","0.4","193","2","193","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C20 H36 I2 N2 Pt2 -","- C20 H36 I2 N2 Pt2 -","- C80 H144 I8 N8 Pt8 -","4","0.5","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0384","0.0351","","","0.0925","0.0947","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00","" "7055584","8.9739","0.0006","8.5841","0.0006","30.686","0.003","90","","90","","90","","2363.8","0.3","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C26 H20 N O5 Pb -","- C26 H26 N O5 Pb -","- C104 H104 N4 O20 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0644","0.0446","","","0.0666","0.074","","","","","","1.004","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00","" "7100807","10.4761","0.0003","16.4356","0.0004","20.9672","0.0005","90","","90","","90","","3610.15","0.16","173","0.1","173","0.1","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- C35 H44 O16 -","- C35 H44 O16 -","- C140 H176 O64 -","4","0.5","","M. Nissinen; A. Ahman","Pyrogallarenes as alkali metal receptors: The role of cation-pi interactions for complexation","Chemical Communications","2006","","","","","10.1039/b515143k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "7106573","12.71226","0.00038","9.9961","0.0003","7.62678","0.00023","90","","90","","90","","969.16","0.05","300","","300","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C6 I Mn N4 O -","- C6 I Mn N4 O -","- C24 I4 Mn4 N16 O4 -","4","0.5","","Saul H. Lapidus; Amber C. McConnell; Peter W. Stephens; Joel S. Miller","Structure and magnetic ordering of a 2-D MnII(TCNE)I(OH2) (TCNE = tetracyanoethylene) organic-based magnet (Tc = 171 K)","Chem.Commun.","2011","47","","7602","","10.1039/c1cc10478k","powder diffraction","","0.699942","synchrotron","","","","","","","","","","1.289","","","","","","","has coordinates","180169","2020-10-21","18:00:00","" "7116824","13.0009","0.0001","24.7338","0.0002","10.817","0.0001","90","","90","","90","","3478.33","0.05","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","[Zn(dippNacNac)I] .(C6H6)","","- C35 H47 I N2 Zn -","- C35 H47 I N2 Zn -","- C140 H188 I4 N8 Zn4 -","4","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex","Chem.Commun.","2015","51","","5743","","10.1039/C5cc00637F","","","1.5418","CuKα","","0.0637","0.0606","","0.0236","0.0228","0.0225","","","","","","1.1012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7208469","9.929","0.0002","16.2793","0.0004","21.263","0.0004","90","","90","","90","","3436.89","0.13","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C33 H24 N8 O15 Zn3 -","- C33 H12 N8 O15 Zn3 -","- C132 H48 N32 O60 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0839","0.0808","","","0.1661","0.1675","","","","","","1.17","","","","has coordinates","180415","2020-10-21","18:00:00","" "7221214","10.814","","6.623","","7.389","","90","","90","","90","","529.208","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","K2 Gd F5","","- F Gd K2 -","- F Gd K2 -","- F4 Gd4 K8 -","4","0.5","","Guede, K.; Hebecker, C.","Preparation and X-ray studies on K2 Ln F5 - type compounds","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1985","40","","864","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7240298","12.1799","0.00046","13.7527","0.00061","7.0999","0.00039","90","","90","","90","","1189.28","0.1","298","","298","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C8.4 H11.6 Cu N4.8 O0.8 -","- C8.3622 H11.5118 Cu N4.7874 O0.7874 -","- C33.4488 H46.0472 Cu4 N19.1496 O3.1496 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00","" "7240301","13.70385","0.00033","14.45157","0.00035","7.13836","0.00019","90","","90","","90","","1413.7","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Cl2 Cu N5 O -","- C9 H11 Cl2 Cu N5 O1.0001 -","- C36 H44 Cl8 Cu4 N20 O4.0004 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00","" "7240303","14.12276","0.00037","14.41132","0.0003","7.12786","0.00017","90","","90","","90","","1450.72","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Br2 Cu N5 O -","- C9.1554 H11.3626 Br2 Cu N5.0518 O1.0518 -","- C36.6216 H45.4504 Br8 Cu4 N20.2072 O4.2072 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00","" "7700421","17.3466","0.0005","12.2444","0.0004","6.9842","0.0003","90","","90","","90","","1483.44","0.09","190","2","190","2","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H12 Cu N4 O S4 -","- C9 H12 Cu N4 O S4 -","- C36 H48 Cu4 N16 O4 S16 -","4","0.5","","Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.","Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15501","15514","10.1039/c9dt02071c","","x-ray","1.5418","CuKα","","0.0503","0.0323","","","0.0674","0.0737","","","","","","1.044","","","","has coordinates","223893","2020-10-21","18:00:00","" "7708142","19.497","0.002","6.8221","0.0006","12.4255","0.0013","90","","90","","90","","1652.7","0.3","298","2","298","2","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C13 H22 Cl N S Sn -","- C13 H22 Cl N S Sn -","- C52 H88 Cl4 N4 S4 Sn4 -","4","0.5","","Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K.","Di-tert-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13073","13085","10.1039/d1dt01142a","","x-ray","0.71073","MoKα","","0.0325","0.0253","","","0.0592","0.0631","","","","","","1.034","","","","has coordinates,has disorder","269698","2021-10-06","15:29:06","" "7708549","12.432","0.0005","7.5736","0.0002","21.0055","0.0008","90","","90","","90","","1977.77","0.12","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C16 H22 N2 Se2 Sn -","- C16 H22 N2 Se2 Sn -","- C64 H88 N8 Se8 Sn4 -","4","0.5","","Karmakar, Gourab; Halankar, Kruti; Tyagi, Adish; Mandal, Balaji P.; Wadawale, Amey; Gotluru, Kedarnath; Srivastava, A. P.; Singh, Vishal","Dimethyltin(IV)-4,6-dimethyl-2-pyridylselenolate: An Efficient Single Source Precursor for the Preparation of SnSe Nanosheets as Anode Material for Lithium Ion Batteries","Dalton Transactions","2021","","","","","10.1039/D1DT01312B","","x-ray","0.71073","MoKα","","0.061","0.0384","","","0.0848","0.0921","","","","","","1.057","","","","has coordinates","269905","2021-10-12","22:56:36","" "8000455","11.6485","0.0006","12.2688","0.0005","16.6697","0.0007","90","","90","","90","","2382.32","0.19","301","2","301","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C18 H8 Mn N10 O -","- C18 H8 Mn N10 O -","- C72 H32 Mn4 N40 O4 -","4","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1431","0.1372","","","0.3015","0.3036","","","","","","1.098","","","","has coordinates,has disorder","257161","2020-10-21","18:00:00","" "8103453","9.234","","9.395","","3.1252","","90","","90","","90","","271.122","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Fe Co O (B O3)","","- B Co Fe O4 -","- B Co Fe O4 -","- B4 Co4 Fe4 O16 -","4","0.5","","Venkatakrishnan, V.; Buerger, M.J.","The crystal structure of Fe Co O B O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","321","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "8103463","9.49","","9.442","","3.2189","","90","","90","","90","","288.428","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Mg Sc O (B O3)","","- B Mg O4 Sc -","- B Mg O4 Sc -","- B4 Mg4 O16 Sc4 -","4","0.5","","Norrestam, R.","Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","1","11","10.1524/zkri.1989.189.1-2.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "8103498","9.3229","0.0011","4.4533","0.0007","2.8482","0.0003","90","","90","","90","","118.25","0.03","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Manganese Oxide - Gamma","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Fong, C.; Kennedy, B. J.; Elcombe, M. M.","A powder neutron diffraction study of λ and γ manganese dioxide and of LiMn~2~O~4~","Zeitschrift für Kristallographie - Crystalline Materials","1994","209","12","941","945","10.1524/zkri.1994.209.12.941","","","","","","0.0427","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103629","8.4114","","11.0702","","6.3766","","90","","90","","90","","593.763","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 (S O4)","","- Cs2 O4 S -","- Cs2 O4 S -","- Cs8 O16 S4 -","4","0.5","","Kahle, A.; Winkler, B.; Griewatsch, C.; Milman, V.","Experimental and theoretical high pressure study of beta(Cs2 S O4)","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103881","7.842","","8.613","","24.407","","90","","90","","90","","1648.53","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Be (I O3)2 (H I O3)2 (H2 O)6","","- Be H14 I4 O18 -","- Be H14 I4 O18 -","- Be4 H56 I16 O72 -","4","0.5","","Macicek, J.; Georgiev, M.; Maneva-Petrova, M.","Structure of Be(IO3)2*2HIO3*6H2O","Zeitschrift fuer Kristallographie (149,1979-)","1992","199","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104262","18.93","","7.09","","3.9","","90","","90","","90","","523.433","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","(Hg C N)2 O","","- C2 Hg2 N2 O -","- C2 Hg2 N2 O -","- C8 Hg8 N8 O4 -","4","0.5","","Scavnicar, S.","The crystal structure of mercury(II) oxycyanide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1963","118","","248","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "9000011","11.44","","14.12","","3.76","","90","","90","","90","","607.363","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Buerger, M. J.","The crystal structure of berthierite","American Mineralogist","1936","21","","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000061","11.44","","14.12","","3.76","","90","","90","","90","","607.363","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Buerger, M. J.; Hahn, T.","The crystal structure of berthierite, FeSb2S4","American Mineralogist","1954","39","","319","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000066","11.44","","14.12","","3.76","","90","","90","","90","","607.363","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Buerger, M. J.; Hahn, T.","The crystal structure of berthierite, FeSb2S4","American Mineralogist","1955","40","","226","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000283","10.523","","4.987","","6.312","","90","","90","","90","","331.242","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Natrophilite","- Fe0.07 Mn0.93 Na O4 P -","- Fe0.07 Mn0.93 Na O4 P -","- Fe0.28 Mn3.72 Na4 O16 P4 -","4","0.5","","Moore, P. B.","Natrophilite, NaMn(PO4), has ordered cations","American Mineralogist","1972","57","","1333","1344","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000386","8.038","","8.752","","7.73","","90","","90","","90","","543.794","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Phillips, M. W.; Gibbs, G. V.; Ribbe, P. H.","The crystal structure of danburite: A comparison with anorthite, albite, and reedmergnerite","American Mineralogist","1974","59","","79","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000407","9.197","","9.358","","3.085","","90","","90","","90","","265.512","","","","","","","","","","","","Warwick, Orange County, New York, USA","4","P n a m","-P 2c 2n","62","","","Warwickite","- B Mg1.58 O4 Ti0.42 -","- B Mg1.58 O4 Ti0.42 -","- B4 Mg6.32 O16 Ti1.68 -","4","0.5","","Moore, P. B.; Araki, T.","Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite, Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper structures","American Mineralogist","1974","59","","985","1004","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9001170","17.82","","22.76","","3.629","","90","","90","","90","","1471.86","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Defernite","- C1.74 H8.03 Ca6 O13.79 Si0.26 -","- C1.74 H8.03 Ca6 O13.79 Si0.26 -","- C6.96 H32.12 Ca24 O55.16 Si1.04 -","4","0.5","","Peacor, D. R.; Sarp, H.; Dunn, P. J.; Innes, J.; Nelen, J. A.","Defernite from the Kombat mine, Namibia: A second occurence, structure refinement, and crystal chemistry","American Mineralogist","1988","73","","888","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31","" "9001739","17.744","","22.601","","3.633","","90","","90","","90","","1456.95","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","","Defernite","- C1.58 H7 Ca6 Cl0.498 O14.679 Si0.84 -","- C1.58 H7 Ca6 Cl0.498 O14.679 Si0.84 -","- C6.32 H28 Ca24 Cl1.992 O58.716 Si3.36 -","4","0.5","","Armbruster, T.; Yang, P.; Liebich, B. W.","Mechanism of the SiO4 for CO3 substitution in defernite, Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray study at 100 K","American Mineralogist","1996","81","","625","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57","" "9002236","13.005","","8.8","","5.847","","90","","90","","90","","669.154","","","","773.15","","","","","","","","","8","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 H4 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 500 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002237","13.013","","8.802","","5.849","","90","","90","","90","","669.947","","","","823.15","","","","","","","","","8","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 H4 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 550 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002238","13.015","","8.802","","5.847","","90","","90","","90","","669.821","","","","873.15","","","","","","","","","8","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 H4 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 600 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002239","13.012","","8.801","","5.85","","90","","90","","90","","669.934","","","","888.15","","","","","","","","","8","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 H Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 H4 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 615 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002240","13.007","","8.805","","5.844","","90","","90","","90","","669.294","","","","898.15","","","","","","","","","7","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 625 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002241","13.008","","8.802","","5.842","","90","","90","","90","","668.888","","","","933.15","","","","","","","","","7","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 660 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002242","13.013","","8.804","","5.841","","90","","90","","90","","669.183","","","","948.15","","","","","","","","","7","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 675 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002243","13.006","","8.804","","5.836","","90","","90","","90","","668.25","","","","973.15","","","","","","","","","7","P n a m","-P 2c 2n","62","","","Ilvaite","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.08 Ca Fe2.81 Mg0.06 Mn0.05 O9 Si2 -","- Al0.32 Ca4 Fe11.24 Mg0.24 Mn0.2 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 700 deg C","American Mineralogist","1999","84","","1604","1612","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42","" "9002759","13.014","","8.867","","5.838","","90","","90","","90","","673.677","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 H4 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from Perda Niedda mine, Sardinia, Italy Sample: PN6-RT, Crystal at room temperature","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002760","13.015","","8.868","","5.842","","90","","90","","90","","674.266","","","","","","","","","","annealed at 400 C for 48 hrs","","","6","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 H4 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002761","13.008","","8.865","","5.845","","90","","90","","90","","674.022","","","","","","","","","","annealed at 500 C for 48 hrs","","","6","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 H4 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002762","12.993","","8.864","","5.837","","90","","90","","90","","672.247","","","","","","","","","","annealed at 600 C for 48 hrs","","","6","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 H Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 H4 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002763","12.983","","8.868","","5.822","","90","","90","","90","","670.306","","","","","","","","","","annealed at 650 C for 48 hrs","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002764","12.992","","8.869","","5.82","","90","","90","","90","","670.616","","","","","","","","","","annealed at 675 C for 48 hrs","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9002765","13.015","","8.873","","5.816","","90","","90","","90","","671.644","","","","","","","","","","annealed at 690 C for 48 hrs","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca0.98 Fe2.28 Mn0.74 O9 Si2 -","- Ca3.92 Fe9.12 Mn2.96 O36 Si8 -","4","0.5","","Bonazzi, P.; Bindi, L.","Structural properties and heat-induced oxidation-dehydrogenation of manganoan ilvaite from perda Niedda mine, Sardinia, Italy Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs","American Mineralogist","2002","87","","845","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30","" "9004552","12.3143","","12.9609","","8.4053","","90","","90","","90","","1341.52","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Sr2 U4 -","- H5 O16 Sr2 U4 -","- H20 O64 Sr8 U16 -","4","0.5","","Burns, P. C.; Hill, F. C.","Implications of the synthesis and structure of the Sr analogue of curite","The Canadian Mineralogist","2000","38","","175","181","10.2113/gscanmin.38.1.175","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004564","12.558","","13.024","","8.398","","90","","90","","90","","1373.54","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.786 U4 -","- H5 O16 Pb0.786 U4 -","- H20 O64 Pb3.144 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample JVS4338 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004565","12.554","","13.019","","8.391","","90","","90","","90","","1371.43","","","","","","","","","","","","Swaambo,Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.779 U4 -","- H5 O16 Pb0.779 U4 -","- H20 O64 Pb3.116 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample JVS4331 Locality: Swaambo,Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004566","12.54","","13.017","","8.395","","90","","90","","90","","1370.34","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.768 U4 -","- H5 O16 Pb0.768 U4 -","- H20 O64 Pb3.072 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample JVS901 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004567","12.562","","13.018","","8.392","","90","","90","","90","","1372.36","","","","","","","","","","","","Swaambo, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.78 U4 -","- H5 O16 Pb0.78 U4 -","- H20 O64 Pb3.12 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample JVS4331(b) Locality: Swaambo, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004568","12.548","","13.012","","8.391","","90","","90","","90","","1370.04","","","","","","","","","","","","Swaambo, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.766 U4 -","- H5 O16 Pb0.766 U4 -","- H20 O64 Pb3.064 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample JVS4332 Locality: Swaambo, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004569","12.579","","13.022","","8.392","","90","","90","","90","","1374.64","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H O8 Pb0.396 U2 -","- H O8 Pb0.3955 U2 -","- H8 O64 Pb3.164 U16 -","8","1","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample CMNMC 81091 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13","" "9004570","12.575","","13.013","","8.39","","90","","90","","90","","1372.93","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.781 U4 -","- H5 O16 Pb0.781 U4 -","- H20 O64 Pb3.124 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample CMNMC 81092 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004571","12.536","","13.017","","8.394","","90","","90","","90","","1369.74","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.784 U4 -","- H5 O16 Pb0.784 U4 -","- H20 O64 Pb3.136 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample CMNMC 81093 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004572","12.545","","13.015","","8.392","","90","","90","","90","","1370.19","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.778 U4 -","- H5 O16 Pb0.778 U4 -","- H20 O64 Pb3.112 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample CMNMC 30059 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004573","12.569","","13.026","","8.393","","90","","90","","90","","1374.13","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.751 U4 -","- H5 O16 Pb0.751 U4 -","- H20 O64 Pb3.004 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample FC8 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004574","12.584","","13.033","","8.402","","90","","90","","90","","1377.99","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.723 U4 -","- H5 O16 Pb0.723 U4 -","- H20 O64 Pb2.892 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample M13067 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004575","12.548","","13.026","","8.389","","90","","90","","90","","1371.18","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.755 U4 -","- H5 O16 Pb0.755 U4 -","- H20 O64 Pb3.02 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample FC5 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004576","12.584","","13.025","","8.391","","90","","90","","90","","1375.34","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.786 U4 -","- H5 O16 Pb0.786 U4 -","- H20 O64 Pb3.144 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample FC11 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004577","12.537","","13.001","","8.384","","90","","90","","90","","1366.54","","","","","","","","","","","","Shinkolobwe, Democratic Republic of Congo","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.761 U4 -","- H5 O16 Pb0.761 U4 -","- H20 O64 Pb3.044 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample M14266 Locality: Shinkolobwe, Democratic Republic of Congo","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004578","12.505","","12.992","","8.379","","90","","90","","90","","1361.29","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Curite","- H5 O16 Pb0.832 U4 -","- H5 O16 Pb0.832 U4 -","- H20 O64 Pb3.328 U16 -","4","0.5","","Li, Y.; Burns, P. C.","Investigations of crystal-chemical variability in lead uranyl oxide hydrates. I. Curite Note: sample SYN, Synthetic","The Canadian Mineralogist","2000","38","","727","735","10.2113/gscanmin.38.3.727","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004975","11.815","","14.593","","4.0814","","90","","90","","90","","703.7","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","4","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S3.87 Se0.13 -","- Bi2 Pb S3.87 Se0.13 -","- Bi8 Pb4 S15.48 Se0.52 -","4","0.5","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Makovicky, E.; Vurro, F.","Comparative crystal-structure study of Ag-free lillianite and galenobismutite from Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2006","44","","159","175","10.2113/gscanmin.44.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004981","11.832","","14.64","","4.0817","","90","","90","","90","","707.034","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","5","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi1.85 Cl0.168 Pb1.14 S3.738 Se0.094 -","- Bi1.85 Cl0.168 Pb1.14 S3.738 Se0.094 -","- Bi7.4 Cl0.672 Pb4.56 S14.952 Se0.376 -","4","0.5","","Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.","Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991a","The Canadian Mineralogist","2006","44","","443","457","10.2113/gscanmin.44.2.443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004982","11.846","","14.667","","4.085","","90","","90","","90","","709.749","","","","","","","","","","","","Vulcano, Aeolian Islands, Italy","5","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi0.91 Cl0.1 Pb0.575 S1.792 Se0.131 -","- Bi0.91 Cl0.1 Pb0.575 S1.792 Se0.1305 -","- Bi7.28 Cl0.8 Pb4.6 S14.336 Se1.044 -","8","1","","Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.","Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991b","The Canadian Mineralogist","2006","44","","443","457","10.2113/gscanmin.44.2.443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005875","13.0533","","8.8345","","5.8674","","90","","90","","90","","676.625","","","","380","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","0.5","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 380 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46","" "9005876","13.0531","","8.8344","","5.8692","","90","","90","","90","","676.814","","","","400","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","0.5","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 400 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46","" "9007426","6.01","","9.13","","6.84","","90","","90","","90","","375.32","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Wells, A. F.","The crystal structure of atacamite and the crystal chemistry of cupric compounds","Acta Crystallographica","1949","2","","175","180","10.1107/S0365110X49000461","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46","" "9007569","7.476","","10.071","","5.763","","90","","90","","90","","433.901","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Arcanite","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","","McGinnety, J. A.","Redetermination of the structures of potassium sulphate and potassium chromate: the effect of electrostatic crystal forces upon observed bond length","Acta Crystallographica, Section B","1972","28","","2845","2852","10.1107/S0567740872007022","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007570","7.663","","10.388","","5.922","","90","","90","","90","","471.41","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Tarapacaite","- Cr K2 O4 -","- Cr K2 O4 -","- Cr4 K8 O16 -","4","0.5","","McGinnety, J. A.","Redetermination of the structures of potassium sulphate and potassium chromate: the effect of electrostatic crystal forces upon observed bond length","Acta Crystallographica, Section B","1972","28","","2845","2852","10.1107/S0567740872007022","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007662","5.2857","","5.8675","","3.4883","","90","","90","","90","","108.186","","","","","","","","100","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007664","5.2675","","5.815","","3.4623","","90","","90","","90","","106.052","","","","","","","","2800000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007665","5.2631","","5.801","","3.4569","","90","","90","","90","","105.543","","","","","","","","3700000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007666","5.2575","","5.7782","","3.4453","","90","","90","","90","","104.664","","","","","","","","4900000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007668","5.4401","","6.0259","","3.3712","","90","","90","","90","","110.513","","","","","","","","100","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007669","5.424","","5.9948","","3.3386","","90","","90","","90","","108.557","","","","","","","","2250000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.25 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007670","5.411","","5.9671","","3.3122","","90","","90","","90","","106.944","","","","","","","","4360000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.36 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007671","5.403","","5.9488","","3.2902","","90","","90","","90","","105.752","","","","","","","","6100000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 6.10 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007672","5.39","","5.928","","3.2662","","90","","90","","90","","104.361","","","","","","","","8300000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 8.3 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007758","23.49","","21.245","","4.02","","90","","90","","90","","2006.16","","","","","","","","","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Boulangerite","- Pb4.65 S11 Sb4.35 -","- Pb4.65 S11 Sb4.35 -","- Pb18.6 S44 Sb17.4 -","4","0.5","","Skowron, A.; Brown, I. D.","Refinement of the structure of boulangerite, Pb5Sb4S11","Acta Crystallographica, Section C","1990","46","","531","534","10.1107/S0108270189008334","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007851","24.591","","19.757","","4.166","","90","","90","","90","","2024.03","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Pb1.79 Sb2.21 Se5 -","- Pb1.79 Sb2.21 Se5 -","- Pb14.32 Sb17.68 Se40 -","8","1","","Skowron, A.; Brown, I. D.","Structure of antimony lead selenide, Pb4Sb4Se10, a selenium analogue of cosalite","Acta Crystallographica, Section C","1990","46","","2287","2291","10.1107/S010827019000405X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9008161","9.889","","6.1202","","3.9184","","90","","90","","90","","237.152","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- H2 O2 Sr -","- H2 O2 Sr -","- H8 O8 Sr4 -","4","0.5","","Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.","Neue AB2-strukturtypen mit siebenfach koordiniertem kation","Zeitschrift fur Kristallographie","1969","128","","430","430","10.1524/zkri.1969.128.16.424","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47","" "9009096","20.94","","5.93","","3.74","","90","","90","","90","","464.412","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","","","- Ir Se2 -","- Ir Se2 -","- Ir8 Se16 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009356","7.605","","9.435","","6.099","","90","","90","","90","","437.623","","","","","","","","","","","","Vrancice, Bohemian pluton, Pribram, Czechoslovakia (Czech Republic)","6","P n a m","-P 2c 2n","62","","","Cechite","- Fe0.8 H Mn0.2 O5 Pb V -","- Fe0.8 H Mn0.2 O5 Pb V -","- Fe3.2 H4 Mn0.8 O20 Pb4 V4 -","4","0.5","","Pertlik, F.","The crystal structure of cechite, Pb(Fe,Mn)(VO4)(OH) with Fe>Mn. A mineral of the descloizite group Locality: Vrancice, Bohemian pluton, Pribram, Czechoslovakia (Czech Republic)","Neues Jahrbuch fur Mineralogie, Monatshefte","1989","1989","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47","" "9009480","8.683","","9.253","","8.272","","90","","90","","90","","664.604","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- B K O8 Si3 -","- B K O8 Si3 -","- B4 K4 O32 Si12 -","4","0.5","","Kimata, M.","Crystal structure of KBSi3O8 isostructural with danburite","Mineralogical Magazine","1993","57","","157","164","10.1180/minmag.1993.057.386.15","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9009882","7.782","","10.636","","5.993","","90","","90","","90","","496.037","","","","298","","","","","","","","Synthetic","4","P n a m","-P 2c 2n","62","","","Mascagnite","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","0.5","","Schlemper, E. O.; Hamilton, W. C.","Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: paraelectric, T = 298 K Locality: synthetic","Journal of Chemical Physics","1966","44","","4498","4509","10.1063/1.1726666","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:14","" "9010916","11.8021","","14.569","","4.0758","","90","","90","","90","","700.813","","","","","","","","100","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010917","11.7854","","14.5531","","4.069","","90","","90","","90","","697.891","","","","","","","","160000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .16 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010918","11.7253","","14.485","","4.0606","","90","","90","","90","","689.656","","","","","","","","600000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .60 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010919","11.6682","","14.435","","4.0424","","90","","90","","90","","680.863","","","","","","","","1390000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 1.39 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010920","11.5609","","14.2968","","4.01","","90","","90","","90","","662.788","","","","","","","","2970000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 2.97 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010921","11.4902","","14.2045","","3.9895","","90","","90","","90","","651.136","","","","","","","","4150000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 4.15 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45","" "9010922","11.4828","","14.1434","","3.9787","","90","","90","","90","","646.164","","","","","","","","4780000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 4.78 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010923","11.3949","","14.0654","","3.9591","","90","","90","","90","","634.54","","","","","","","","6060000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 6.06 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010924","11.2963","","13.9073","","3.9266","","90","","90","","90","","616.873","","","","","","","","8650000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 8.65 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010925","11.2863","","13.8907","","3.9233","","90","","90","","90","","615.074","","","","","","","","8920000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Galenobismutite","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.","Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 8.92 GPa","Physics and Chemistry of Minerals","2007","34","","467","475","10.1007/s00269-007-0163-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9010980","9.076","","9.583","","8.578","","90","","90","","90","","746.074","","","","","","","","","","","","Benallt Mine, near Rhiw, Carnarvonshire, U.K.","4","P n a m","-P 2c 2n","62","","","Paracelsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","0.5","","Smith, J. V.","The crystal structure of paracelsian, BaAl2Si2O8","Acta Crystallographica","1953","6","","613","620","10.1107/S0365110X53001721","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46","" "9011138","10.459","","5.295","","10.382","","90","","90","","90","","574.959","","","","","","","","","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Cavoite","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","","Bouloux, J. C.; Galy, J.","Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7","Acta Crystallographica, Section B","1973","29","","269","275","10.1107/S0567740873002335","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011255","18.038","","6.611","","7.42","","90","","90","","90","","884.829","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- C6 I S -","- C6 H13 I S -","- C24 H52 I4 S4 -","4","0.5","","Marsh, R. E.; Herbstein, F. H.","More space-group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011257","11.82","","13.333","","7.816","","90","","90","","90","","1231.77","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- Er2 F7 K -","- Er2 F7 K -","- Er16 F56 K8 -","8","1","","Marsh, R. E.; Herbstein, F. H.","More space-group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011372","11.401","","14.148","","3.758","","90","","90","","90","","606.17","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Lemoine, P.; Carre, D.; Robert, F.","Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)","Acta Crystallographica, Section C","1991","47","","938","940","10.1107/S0108270190012124","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011472","8.037","","8.757","","7.7218","","90","","90","","90","","543.46","","","","298.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 25 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011473","8.046","","8.765","","7.734","","90","","90","","90","","545.426","","","","481.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 208 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011474","8.061","","8.777","","7.745","","90","","90","","90","","547.97","","","","680.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 407 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011475","8.078","","8.786","","7.762","","90","","90","","90","","550.895","","","","891.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 618 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011476","8.092","","8.796","","7.7768","","90","","90","","90","","553.531","","","","1090.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Note: x(B) corrected to match reported bond lengths Sample: T = 817 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011477","8.101","","8.801","","7.786","","90","","90","","90","","555.118","","","","1183.15","","","","","","","","Toroku mine, Miyazaki Prefecture, Japan","4","P n a m","-P 2c 2n","62","","","Danburite","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Sugiyama, K.; Takeuchi, Y.","Unusual thermal expansion of a B-O-bond in the structure of danburite CaB2Si2O8 Locality: Toroku mine, Miyazaki Prefecture, Japan Note: AnisoB's from ICSD Sample: T = 910 C","Zeitschrift fur Kristallographie","1985","173","","293","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011483","9.793","","13.636","","13.83","","90","","90","","90","","1846.82","","","","","","","","","","","","Harstigen mine, Sweden","6","P n a m","-P 2c 2n","62","","","Harstigite","- Be4 Ca6 H2 Mn O24 Si6 -","- Be4 Ca6 H2 Mn O24 Si6 -","- Be16 Ca24 H8 Mn4 O96 Si24 -","4","0.5","","Hesse, K. F.; Stumpel, G.","Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2","Zeitschrift fur Kristallographie","1986","177","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9011490","11.423","","14.174","","3.765","","90","","90","","90","","609.59","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Bente, K.; Edenharter, A.","Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung von berthierit, FeSb2S4","Zeitschrift fur Kristallographie","1989","185","","31","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011491","11.459","","14.351","","3.823","","90","","90","","90","","628.685","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Clerite","- Mn S4 Sb2 -","- Mn S4 Sb2 -","- Mn4 S16 Sb8 -","4","0.5","","Bente, K.; Edenharter, A.","Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung von berthierit, FeSb2S4","Zeitschrift fur Kristallographie","1989","185","","31","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47","" "9011914","12.66","","7.34","","13.48","","90","","90","","90","","1252.62","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Epididymite","- Be2 H2 Na2 O17 Si6 -","- Be2 H2 Na2 O17 Si6 -","- Be8 H8 Na8 O68 Si24 -","4","0.5","","Pobedimskaya, E. A.; Belov, N. V.","The crystal structure of epididymite: a new type of infinite silicooxygenous chains","Doklady Akademii Nauk SSSR","1959","129","","900","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012403","11.413","","14.164","","3.759","","90","","90","","90","","607.656","","","","","","","","","","","","Caspari mine, North Rhine-Westphalia, Germany","4","P n a m","-P 2c 2n","62","","","Garavellite","- Bi Fe S4 Sb -","- Bi Fe S4 Sb -","- Bi4 Fe4 S16 Sb4 -","4","0.5","","Bindi, L.; Menchetti, S.","Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany: composition, physical properties and determination of the crystal structure Locality: Caspari mine, North Rhine-Westphalia, Germany","Mineralogy and Petrology","2005","85","","131","139","10.1007/s00710-005-0083-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47","" "9012510","7.85","","9.292","","6.148","","90","","90","","90","","448.449","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- H Mo Na O5 Zn -","- H Mo Na O5 Zn -","- H4 Mo4 Na4 O20 Zn4 -","4","0.5","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47","" "9013192","8.0424","","9.8511","","4.0328","","90","","90","","90","","319.505","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","5","P n a m","-P 2c 2n","62","","","Demicheleite-(Br)","- Bi0.99 Br0.67 Cl0.35 I0.02 S0.97 -","- Bi0.99 Br0.67 Cl0.35 I0.02 S0.97 -","- Bi3.96 Br2.68 Cl1.4 I0.08 S3.88 -","4","0.5","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P.","Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy","American Mineralogist","2008","93","","1603","1607","10.2138/am.2008.2883","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48","" "9013281","8.376","","9.551","","8.353","","90","","90","","90","","668.233","","","","","","","","63300000","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","","- Ca Fe2 O4 -","- Ca Fe2 O4 -","- Ca12 Fe24 O48 -","12","1.5","","Yamanaka, T.; Uchida, A.; Nakamoto, Y.","Structural transition of post-spinel phases CaMn2O4, CaFe2O4, and CaTi2O4 under high pressures up to 80 GPa Note: Pressure = 63.3 GPa","American Mineralogist","2008","93","","1874","1881","10.2138/am.2008.2934","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49","" "9013663","7.802","","9.93","","3.9905","","90","","90","","90","","309.159","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","4","P n a m","-P 2c 2n","62","","","Demicheleite-(Cl)","- Bi Br0.1 Cl0.9 S -","- Bi Br0.1 Cl0.9 S -","- Bi4 Br0.4 Cl3.6 S4 -","4","0.5","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Demicheleite-(Cl), BiS,Cl, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy","American Mineralogist","2009","94","","1045","1048","10.2138/am.2009.3200","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49","" "9014587","10.9015","","13.3136","","3.69","","90","","90","","90","","535.56","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014693","11.2796","","13.9181","","3.7359","","90","","90","","90","","586.501","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 1.41 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014738","7.486","","9.62","","5.881","","90","","90","","90","","423.522","","","","","","","","","","","","Shaba, Congo","7","P n a m","-P 2c 2n","62","","","Mottramite","- Bi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 V -","- Bi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 V -","- Bi1.44 Ca0.76 Cu4 H2.56 O19.72 Pb1.72 V4 -","4","0.5","","Krause, W.; Kolitsch, U.; Bernhardt, H. J.; Effenberger, H.","Duhamelite discredited","Neues Jahrbuch fur Mineralogie, Monatshefte","2003","2003","","75","96","10.1127/0028-3649/2003/2003-0075","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9014870","11.1825","","13.753","","3.7359","","90","","90","","90","","574.555","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015081","8.49","","5.721","","18.97","","90","","90","","90","","921.397","","","","","","","","","","","","Synthetic","1","P n a m","-P 2c 2n","62","","","Kratochvilite","- C13 -","- C52 H40 -","- C52 H40 -","","","","Burns, D. M.; Iball, J.","The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given","Proceedings of the Royal Society of London A","1955","227","","200","214","10.1098/rspa.1955.0004","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015358","10.9404","","13.3719","","3.6973","","90","","90","","90","","540.893","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015505","7.8974","","7.9076","","14.7227","","90","","90","","90","","919.425","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ba F10 O2 Zr2 -","- Ba4 F40 O8 Zr8 -","- Ba4 F40 O8 Zr8 -","","","","Gao, Y.; Guery, J.; Le Bail, A.; Jacoboni, C.","Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108","Journal of Solid State Chemistry","1992","98","","11","24","10.1016/0022-4596(92)90065-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015670","11.1063","","13.6291","","3.7249","","90","","90","","90","","563.834","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016028","9.32","","4.46","","2.85","","90","","90","","90","","118.467","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","","Ramsdellite","- Mn O2 -","- Mn4 O8 -","- Mn4 O8 -","","","","Kondrashev, Y. D.; Zaslavskii, A. I.","The structure of the modifications of manganese oxide","Izvestiya Akademii Nauk SSSR","1951","15","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016347","11.034","","13.5152","","3.7136","","90","","90","","90","","553.797","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 4.89 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9016388","11.4164","","14.1705","","3.7632","","90","","90","","90","","608.796","","","","","","","","","","","","hydro-thermal vein-type deposit of Herja in","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","- Fe4 S16 Sb8 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.","The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 0.0001 GPa the Baia Mare metallogenic area, Romania","The Canadian Mineralogist","2012","50","","201","218","10.3749/canmin.50.2.201","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9017012","5.493","","6.52","","3.453","","90","","90","","90","","123.667","","","","","","","","23500000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 23.5 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:13","" "9017013","5.464","","6.468","","3.415","","90","","90","","90","","120.69","","","","","","","","29000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 29.0 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017014","5.426","","6.389","","3.362","","90","","90","","90","","116.549","","","","","","","","39000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 39.0 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017015","5.343","","6.29","","3.295","","90","","90","","90","","110.737","","","","","","","","62700000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 62.7 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017016","5.298","","6.239","","3.269","","90","","90","","90","","108.054","","","","","","","","75100000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 75.1 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017017","5.246","","6.194","","3.228","","90","","90","","90","","104.89","","","","","","","","93000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 93 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017018","5.215","","6.167","","3.211","","90","","90","","90","","103.269","","","","","","","","105000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 105 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017019","5.128","","6.108","","3.183","","90","","90","","90","","99.697","","","","","","","","120000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 120 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14","" "9017020","5.083","","6.046","","3.152","","90","","90","","90","","96.867","","","","","","","","140000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 140 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""