# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-04T11:27:22+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 106 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
"1001569","12.0717","0.0002","12.0717","0.0002","3.8737","0.0001","90","","90","","90","","564.5","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Dineodymium tetrabarium dicopper oxide","","- Ba4 Cu2 Nd2 O9 -","- Ba4 Cu2 Nd2 O9 -","- Ba8 Cu4 Nd4 O18 -","2","0.25","","Domenges, B; Abbattista, F; Michel, C; Vallino, M; Barbey, L; Nguyen, N; Raveau, B","A one-dimensional cuprate closely related to the ""0212""-structure: Nd~2~Ba~4~Cu~2~O~9~","Journal of Solid State Chemistry","1993","106","","271","281","10.1006/jssc.1993.1286","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001668","10.41","0.003","20.5","0.006","19.48","0.005","90","","98.8","0.1","90","","4108.2","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","Carbon cyclo-octasulfur (76.6/6)","","- C76.039 S48 -","- C76.59 S48 -","- C153.18 S96 -","2","0.5","","Michel, R H; Kappes, M M; Adelmann, P; Roth, G","Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes","Angewandte Chemie (German Edition)","1994","106","","1742","1746","","","","","","","0.0634","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008644","5.55548","0.00004","7.84868","0.00006","5.55349","0.00005","90","","90","","90","","242.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008645","5.5581","0.00004","7.83421","0.00006","5.54862","0.00005","90","","90","","90","","241.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","0.5","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008646","5.5936","0.00004","7.75951","0.00005","5.5649","0.00003","90","","90","","90.125","0.0004","241.5","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008647","5.5917","0.0003","7.7516","0.0004","5.5623","0.0003","90","","90","","90.129","0.006","241.1","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Lanthanum vanadate(III)","","- La O3 V -","- La O3 V -","- La4 O12 V4 -","4","1","","Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B","Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K","Journal of Solid State Chemistry","1993","106","","253","270","10.1006/jssc.1993.1285","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1507419","25.124","0.002","14.94","0.0013","19.533","0.002","90","","93.72","0.002","90","","7316.3","1.1","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc3N@C78.Co(OEP).1.5benzene.0.3CHCl3","","","- C123.3 H53.3 Cl0.9 Co N5 Sc3 -","- C123.3 H53.3 Cl0.9 Co N5 Sc3 -","- C493.2 H213.2 Cl3.6 Co4 N20 Sc12 -","4","0.5","","Campanera, Josep M.; Bo, Carles; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.","Bonding within the Endohedral Fullerenes Sc3N@C78and Sc3N@C80as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@C78}·Co(OEP)}·1.5(C6H6)·0.3(CHCl3)","The Journal of Physical Chemistry A","2002","106","51","12356","","10.1021/jp021882m","","","0.7749","high-intensityx-raybeam","","0.1041","0.0977","","","0.2588","0.2647","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507420","11.68","0.001","20.5299","0.0018","8.0429","0.0015","90","","90","","90","","1928.6","0.4","143","2","143","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C8 H14 F6 N2 O8 S2 Sr -","- C8 H14 F6 N2 O8 S2 Sr -","- C32 H56 F24 N8 O32 S8 Sr4 -","4","0.25","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.71073","MoKα","","0.0371","0.0346","","","0.0907","0.0934","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507421","11.751","0.004","20.78","0.006","8.1345","0.0016","90","","90","","90","","1986.3","1","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C8 H14 F6 N2 O8 S2 Sr -","- C8 H14 F6 N2 O8 S2 Sr -","- C32 H56 F24 N8 O32 S8 Sr4 -","4","0.25","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.7107","MoKα","","0.0553","0.052","","","0.1383","0.1445","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507422","8.4221","0.0013","11.5766","0.0016","18.42","0.003","90","","93.263","0.012","90","","1793","0.5","143","2","143","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H12 F6 O8 S4 Sr -","- C6 H12 F6 O8 S4 Sr -","- C24 H48 F24 O32 S16 Sr4 -","4","0.5","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.71073","MoKα","","0.1036","0.0919","","","0.2559","0.2626","","","","","","1.179","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507491","5.8784","0.0006","17.3462","0.0015","10.8042","0.0012","90","","92.891","0.008","90","","1100.28","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 F3 Na O5 S -","- C5 H10 F3 Na O5 S -","- C20 H40 F12 Na4 O20 S4 -","4","1","","Rhodes, Christopher P.; Khan, Masood; Frech, Roger","Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length","The Journal of Physical Chemistry B","2002","106","40","10330","","10.1021/jp0141981","","","0.71073","MoKα","","0.0605","0.0514","","0.1457","0.1331","","","","1.053","1.083","1.083","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507492","13.11","0.003","16.496","0.004","19.382","0.003","104.55","0.015","100.628","0.016","111.661","0.015","3587.2","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H72 F18 Li6 O34 S6 -","- C38 H72 F18 Li6 O34 S6 -","- C76 H144 F36 Li12 O68 S12 -","2","1","","Rhodes, Christopher P.; Khan, Masood; Frech, Roger","Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length","The Journal of Physical Chemistry B","2002","106","40","10330","","10.1021/jp0141981","","","0.71073","MoKα","","0.1135","0.0738","","","0.1791","0.2067","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507493","15.3093","0.0012","9.6185","0.0007","12.6945","0.0013","90","","107.549","0.007","90","","1782.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 F3 Na O8 S -","- C11 H22 F3 Na O8 S -","- C44 H88 F12 Na4 O32 S4 -","4","1","","Rhodes, Christopher P.; Khan, Masood; Frech, Roger","Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length","The Journal of Physical Chemistry B","2002","106","40","10330","","10.1021/jp0141981","","","0.71073","MoKα","","0.0469","0.0372","","0.1029","0.0958","","","","1.057","1.079","1.079","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509006","14.33","","14.308","","10.127","","90","","90.2","","90","","2076.36","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Silver gallium telluride (0.6/3/4.75) - HP","","- Ag0.6 Ga3 Te4.75 -","- Ag0.6045 Ga3 Te4.75 -","- Ag4.836 Ga24 Te38 -","8","2","","Zabel, M.; Panzer, P.; Range, K.J.","Hochdrucksynthese und Kristallstruktur von Ag2 Ga6 Te10","Journal of the Less-Common Metals","1985","106","","305","314","10.1016/0022-5088(85)90268-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509476","6.38","","12.581","","6.896","","90","","90","","90","","553.52","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 Ag S2","","- Ag Na3 S2 -","- Ag Na3 S2 -","- Ag4 Na12 S8 -","4","0.25","","Bronger, W.; Klepp, K.O.","Ein Thioargentat mit isolierten Anionen","Journal of the Less-Common Metals","1985","106","","95","101","10.1016/0022-5088(85)90370-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509488","5.852","","3.478","","5.495","","90","","107.5","","90","","106.665","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ag O -","- Ag O -","- Ag4 O4 -","4","0.5","","Zeek, W.C.; Salkind, A.J.","The structure of AgO","Journal of the Electrochemical Society","1959","106","","366","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509634","9.7845","","9.7845","","9.7845","","90","","90","","90","","936.733","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Ag16 Ca6 N -","- Ag16 Ca6 N -","- Ag32 Ca12 N2 -","2","0.0208333","","Simon, A.; Snyder, G.J.","Diskrete (M6 N)-Oktaeder in den Subnitriden Na16 Ba6 N und Ag16 Ca6 N - eine Ueberpruefung des Ag8 Ca3-Typs","Angewandte Chemie (German Edition)","1994","106","","713","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511291","6.8488","","6.8488","","6.8159","","90","","90","","120","","276.874","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Sr (B P O5)","","- B O5 P Sr -","- B O5 P Sr -","- B3 O15 P3 Sr3 -","3","0.5","","Kniep, R.; Asbrand, M.; Kizilyalli, M.; Roehr, C.; Goezel, G.; Eisenmann, B.","Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511343","8.629","","8.629","","4.275","","90","","90","","90","","318.315","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ni4.43 Si2 B1.29","","- B1.29 Ni4.43 Si2 -","- B1.29 Ni4.43 Si2 -","- B5.16 Ni17.72 Si8 -","4","0.125","","Knotek, O.; Lugscheider, E.; Reimann, H.","Das Dreistoffsystem Nickel-Bor-Silicium","Monatshefte fuer Chemie (-108,1977)","1975","106","","1155","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511447","22.211","","14.296","","7.102","","90","","90","","90","","2255.09","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Ba3 (B P3 O12)","","- B Ba3 O12 P3 -","- B Ba3 O12 P3 -","- B8 Ba24 O96 P24 -","8","0.5","","Goezel, G.; Eisenmann, B.; Kizilyalli, M.; Kniep, R.; Roehr, C.; Asbrand, M.","Borophosphate - eine vernachlaessigte Verbindungsklasse: Die Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511466","6.6799","","6.6799","","6.6121","","90","","90","","120","","255.511","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ca (B P O5)","","- B Ca O5 P -","- B Ca O5 P -","- B3 Ca3 O15 P3 -","3","0.5","","Goezel, G.; Kniep, R.; Asbrand, M.; Eisenmann, B.; Roehr, C.; Kizilyalli, M.","Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12)","Angewandte Chemie (German Edition)","1994","106","","791","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511479","20.726","","7.115","","8.589","","90","","95.05","","90","","1261.67","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ba5 (B2 O5)2 F2","","- B4 Ba5 F2 O10 -","- B4 Ba5 F2 O10 -","- B16 Ba20 F8 O40 -","4","0.5","","Alekel, T.; Keszler, D.A.","The pyroborate fluoride Ba5(B2O5)2F2","Journal of Solid State Chemistry","1993","106","","310","316","10.1006/jssc.1993.1291","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520985","10.97","","10.97","","10.97","","90","","90","","90","","1320.14","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Eu6 C60","","- C60 Eu6 -","- C60 Eu6 -","- C120 Eu12 -","2","0.0416667","","Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.","Crystal chemistry of europium fullerides","Solid State Communications","1998","106","","431","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","140603","2020-10-21","18:00:00",""
"1523119","11.94","","11.94","","5.081","","90","","90","","90","","724.366","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ga4 Sm9 -","- Ga4 Sm9 -","- Ga8 Sm18 -","2","0.125","","Yatsenko, S.P.; Grin', Yu.; Chuntonov, K.A.; Sichevich, O.M.; Yarmolyuk, Ya.P.","Die Struktur von Sm9 Ga4","Journal of the Less-Common Metals","1985","106","","35","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523637","8.7","","8.7","","4.115","","90","","90","","120","","269.736","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ga2 Ni3 Y -","- Ga2 Ni3 Y -","- Ga6 Ni9 Y3 -","3","0.125","","Fremy, M.A.; Gignoux, D.; Moreau, J.M.; Paccard, D.; Paccard, M.","R M3 Ga2 compounds (R= rare earth; M= Co, Ni); a new structural series","Journal of the Less-Common Metals","1985","106","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524184","3.1994","","3.1994","","3.1994","","90","","90","","90","","32.75","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Co0.72 Ni0.28) Zr","","- Co0.72 Ni0.28 Zr -","- Co0.72 Ni0.28 Zr -","- Co0.72 Ni0.28 Zr -","1","0.0208333","","Carvalho, E.M.; Harris, I.R.","X-ray diffraction studies of structural changes in the system Zr50 Co50-x Nix (x=0-50): III","Journal of the Less-Common Metals","1985","106","","143","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524215","5.028","","5.028","","4.015","","90","","90","","120","","87.904","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co4 Ga) Gd","","- Co4 Ga Gd -","- Co4 Ga Gd -","- Co4 Ga Gd -","1","0.0416667","","Chuang, Y.C.; Wu, C.-H.; Chen, H.B.","Structure and decomposition behaviour of Gd Co5-x Mx pseudobinary compounds. I: Structure","Journal of the Less-Common Metals","1985","106","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524216","5.007","","5.007","","4.022","","90","","90","","120","","87.323","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co2.5 Cu2.5) Gd","","- Co2.5 Cu2.5 Gd -","- Co2.5 Cu2.5 Gd -","- Co2.5 Cu2.5 Gd -","1","0.0416667","","Chuang, Y.C.; Wu, C.-H.; Chen, H.B.","Structure and decomposition behaviour of Gd Co5-x Mx pseudobinary compounds. I: Structure","Journal of the Less-Common Metals","1985","106","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524217","4.968","","4.968","","4.01","","90","","90","","120","","85.711","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co2.5 Cu2.5) Y","","- Co2.5 Cu2.5 Y -","- Co2.5 Cu2.5 Y -","- Co2.5 Cu2.5 Y -","1","0.0416667","","Chuang, Y.C.; Wu, C.-H.; Chang, Y.C.","Structure and magnetic properties of Y(Co1-xMx)5 compounds","Journal of the Less-Common Metals","1985","106","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524230","28.21","","28.21","","28.21","","90","","90","","90","","22449.6","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Eu2.819 C60","","- C15 Eu2.819 -","- C15 Eu2.819 -","- C480 Eu90.208 -","32","1.33333","","Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.","Crystal chemistry of europium fullerides","Solid State Communications","1998","106","","431","435","","","","","","","","","","","","","","","","","","","","","","has coordinates","144920","2020-10-21","18:00:00",""
"1524384","8.819","","8.819","","4.056","","90","","90","","120","","273.192","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Co3 Ga2 Y -","- Co3 Ga2 Y -","- Co9 Ga6 Y3 -","3","0.125","","Fremy, M.A.; Moreau, J.M.; Gignoux, D.; Paccard, D.; Paccard, L.","R M3 Ga2 compounds (R= rare earth; M= Co, Ni); a new structural series","Journal of the Less-Common Metals","1985","106","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525400","6.904","","6.904","","6.904","","90","","90","","90","","329.081","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Co2 (Si0.2 Zr0.8)","","- Co2 Si0.2 Zr0.8 -","- Co2 Si0.2 Zr0.8 -","- Co16 Si1.6 Zr6.4 -","8","0.0416667","","Trojko, R.; Blazina, Z.","Metal-metalloid exchange in some Friauf-Laves phases containing two transition metals","Journal of the Less-Common Metals","1985","106","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528720","26.73","","4.6","","18.06","","90","","106","","90","","2134.6","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pb Te O3","","- O3 Pb Te -","- O3 Pb Te -","- O72 Pb24 Te24 -","24","3","","Mariolacos, K.","Die Kristallstruktur von Pb Te O3","Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse","1969","106","","129","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529268","5.1431","0.0002","18.8195","0.0007","8.1641","0.0003","90","","90","","90","","790.21","0.05","300","","300","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 O8 Rb Sm -","- Mo2 O8 Rb Sm -","- Mo8 O32 Rb4 Sm4 -","4","0.5","","Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh.","Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2","Materials Letters","2013","106","0","26","","10.1016/j.matlet.2013.04.039","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.82","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1530590","4.18","","4.5","","12","","90","","90","","90","","225.72","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Tl2 Sb2 Se4","","- Sb2 Se4 Tl2 -","- Sb2 Se4 Tl2 -","- Sb2 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Semiletov, S.A.; Belova, E.N.","The electron diffraction determination of the structure of Tl2 Sb2 Se4","Doklady Akademii Nauk SSSR","1956","106","","1003","1006","","","","","","","","","","","","","","","","","","","","","","has coordinates","155723","2020-10-21","18:00:00",""
"1531065","17.983","","17.966","","14.625","","90","","114.31","","90","","4306.12","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ca8.66 (Al17.32 Si46.68 O128) (H2 O)37.12","","- Al17.32 Ca5.376 O165.12 Si46.68 -","- Al17.32 Ca5.376 O165.12 Si46.68 -","- Al17.32 Ca5.376 O165.12 Si46.68 -","1","0.125","","Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Zanardi, S.; Vezzalini, G.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta","J. Phys. Chem. B","2002","106","","10277","10284","","","","","","","","","","","","","","","","","","","","","","has coordinates","156385","2020-10-21","18:00:00",""
"1531066","12.634","","12.634","","26.608","","90","","90","","90","","4247.12","","","","","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","Ca4.84 Mg0.64 (Al10.96 Si53.04 O128) (H2 O)33.36","","- Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04 -","- Al10.96 Ca4 Mg0.64 O161.36 Si53.04 -","- Al10.96 Ca4 Mg0.64 O161.36 Si53.04 -","1","0.125","","Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta","J. Phys. Chem. B","2002","106","","10277","10284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531181","24.953","","24.953","","24.953","","90","","90","","90","","15537","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cd68 (Al92 Si100 O384)","","- Al92 Cd68 O384 Si100 -","- Al92.0064 Cd68.0032 O384 Si99.9936 -","- Al92.0064 Cd68.0032 O384 Si99.9936 -","1","0.00520833","","Choi, E.Y.; Lee, S.H.; Han, Y.W.; Kim, Y.; Seff, K.","Crystal structure of a cadmium sorption complex of dehydrated fully Cd(2+)-exchanged zeolite X containing Cd(2+), Cd(+) and Cd(0)","J. Phys. Chem. B","2002","106","","7569","7573","","","","","","","","","","","","","","","","","","","","","","has coordinates","156531","2020-10-21","18:00:00",""
"1531407","12.083","","12.083","","12.083","","90","","90","","90","","1764.1","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(In9.5 H0.5) (Si12 Al12 O48) (In S H)0.5 (H2 S)2.5","","- Al12 H6 In10 O48 S3 Si12 -","- Al12 In10 O48 S2.9982 Si12 -","- Al12 In10 O48 S2.9982 Si12 -","1","0.0208333","","Heo, N.-H.; Chun, C.W.; Park, M.; Li, S.-L.; Lim, W.T.; Park, J.S.; Zhou, L.-P.","Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containingIn2 S, In S H, sorbed H2 S and (In5)(7+)","J. Phys. Chem. B","2002","106","","4578","4587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531410","12.076","","12.076","","12.076","","90","","90","","90","","1761.04","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(In8.4 H1.2) (Si12 Al12 O48) (In2 S)0.6 (H2 S)2","","- Al12 H5.2 In9.6 O48 S2.6 Si12 -","- Al12 In9.6 O48 S2.5986 Si12 -","- Al12 In9.6 O48 S2.5986 Si12 -","1","0.0208333","","Heo, N.-H.; Park, M.; Chun, C.W.; Lim, W.T.; Park, J.S.; Li, S.-L.; Zhou, L.-P.","Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+)","J. Phys. Chem. B","2002","106","","4578","4587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531413","12.094","","12.094","","12.094","","90","","90","","90","","1768.93","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(In9.8 H0.4) (Si12 Al12 O48) (In S H)0.4 (H2 S)","","- Al12 H2.8 In10.2 O48 S1.4 Si12 -","- Al12 In10.1992 O48 S1.401 Si12 -","- Al12 In10.1992 O48 S1.401 Si12 -","1","0.0208333","","Heo, N.-H.; Lim, W.T.; Chun, C.W.; Zhou, L.-P.; Park, J.S.; Park, M.; Li, S.-L.","Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+)","J. Phys. Chem. B","2002","106","","4578","4587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531416","12.094","","12.094","","12.094","","90","","90","","90","","1768.93","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","In10.2 (Si12 Al12 O48) (H2 S)0.8","","- Al12 H1.6 In10.2 O48 S0.8 Si12 -","- Al12 In10.1984 O48 S0.8016 Si12 -","- Al12 In10.1984 O48 S0.8016 Si12 -","1","0.0208333","","Heo, N.-H.; Chun, C.W.; Park, J.S.; Zhou, L.-P.; Park, M.; Lim, W.T.; Li, S.-L.","Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+)","J. Phys. Chem. B","2002","106","","4578","4587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531991","9.442","","9.442","","9.442","","94.65","","94.65","","94.65","","832.974","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","","Poulet, G.; Tuel, A.; Sautet, P.","Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations","J. Phys. Chem. B","2002","106","","8599","8608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531993","9.1851","","9.464","","9.5281","","94.511","","102.89","","95.751","","798.953","","","","","","","","","","","","","4","P 1","P 1","1","","Al (P O4) (H2 O)2","","- Al H4 O6 P -","- Al O6 P -","- Al6 O36 P6 -","6","6","","Poulet, G.; Sautet, P.; Tuel, A.","Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principlescalculations","J. Phys. Chem. B","2002","106","","8599","8608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534655","5.7","","5.7","","19","","90","","90","","120","","534.606","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ba Mn O2.83 -","- Ba Mn O2.829 -","- Ba8 Mn8 O22.632 -","8","0.666667","","Gonzalez-Calbet, J.M.; Parras, M.; Alonso, J.M.; Vallet-Regi, M.; Prewitt, C.T.","Microstructural investigations of oxygen-deficient Ba Mn O3-y hexagonal perovskites","Journal of Solid State Chemistry","1993","106","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534656","8.426","","8.426","","4.867","","90","","90","","90","","345.545","","","","","","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","((N H2)4 P) I","","- H8 I N4 P -","- H8 I N4 P -","- H16 I2 N8 P2 -","2","0.125","","Schnick, W.; Horstmann, S.; Schmidpeter, A.","Synthese und Struktur des ersten TetraaminophosphoniumSalzes P (N H2)4 I","Angewandte Chemie (German Edition)","1994","106","","818","819","10.1002/ange.19941060726","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534658","5.7","","5.7","","14","","90","","90","","120","","393.92","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ba Mn O2.83 -","- Ba Mn O2.829 -","- Ba6 Mn6 O16.974 -","6","0.5","","Gonzalez-Calbet, J.M.; Parras, M.; Alonso, J.M.; Prewitt, C.T.; Vallet-Regi, M.","Microstructural investigations of oxygen-deficient Ba Mn O3-y hexagonal perovskites","Journal of Solid State Chemistry","1993","106","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534906","7.655","","3.873","","11.735","","90","","90","","90","","347.917","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y2 Ba4 Cu6 O13","","- Ba4 Cu6 O13 Y2 -","- Ba4 Cu6 O13 Y2 -","- Ba4 Cu6 O13 Y2 -","1","0.125","","Simon, A.; Truebenbach, K.; Borrmann, H.","Single crystal X-ray structure analysis of yttrium barium copper oxide (YBa2Cu3O6.5)","Journal of Solid State Chemistry","1993","106","","128","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","161977","2020-10-21","18:00:00",""
"1536646","17.124","","18.853","","9.397","","90","","90.77","","90","","3033.44","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb3 (Nb6 S Br17)","","- Br17 Nb6 Rb3 S -","- Br17 Nb6 Rb3 S -","- Br68 Nb24 Rb12 S4 -","4","0.5","","Womelsdorf, H.; Meyer, H.J.","Rb3 (Nb6 S Br17), die erste Verbindung mit einem isolierten trigonal-prismatischen Niobcluster","Angewandte Chemie (German Edition)","1994","106","","2022","2023","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538053","4.46","","4.46","","4.46","","90","","90","","90","","88.717","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Hf Ta N2","","- Hf N2 Ta -","- Hf N2 Ta -","- Hf2 N4 Ta2 -","2","0.0104167","","Gatterer, J.; Dufek, G.; Ettmayer, P.; Kieffer, R.","Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1975","106","","1137","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538055","4.124","","4.124","","4.124","","90","","90","","90","","70.138","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","V N","","- N V -","- N V -","- N4 V4 -","4","0.0208333","","Gatterer, J.; Ettmayer, P.; Dufek, G.; Kieffer, R.","Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1975","106","","1137","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538058","4.578","","4.578","","4.578","","90","","90","","90","","95.946","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zr N","","- N Zr -","- N Zr -","- N4 Zr4 -","4","0.0208333","","Gatterer, J.; Dufek, G.; Ettmayer, P.; Kieffer, R.","Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1975","106","","1137","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544623","4.7673","0.0002","10.2492","0.0003","6.0021","0.0002","90","","90","","90","","293.269","0.018","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.79Fe0.21)(Mg0.85Fe0.14)SiO4 olivine","","olivine","- Fe0.35 Mg1.64 O4 Si -","- Fe0.357 Mg1.643 O4 Si -","- Fe1.428 Mg6.572 O16 Si4 -","4","0.5","","Ejima, T.; Akasaka, M.; Ohfuji, H.","Oxidation state of Fe in olivine in a lherzolite xenolith from Oku district, Oki-Dogo island, Shimane Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2011","106","","246","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","188567","2020-10-21","18:00:00",""
"1568977","9.20152","0.000018","5.265935","0.00001","13.54116","0.00002","90","","90.0661","0.0001","90","","656.131","0.002","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Na O P Sr -","- Co4 Na8 O32 P8 Sr4 -","- Co4 Na8 O32 P8 Sr4 -","1","0.25","","Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A.","Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2","Physical Review B","2022","106","5","054415-1","","10.1103/PhysRevB.106.054415","powder diffraction","x-ray","0.35424","","","","","","","","","","","","","","","","","","has coordinates","282880","2023-04-27","08:40:49",""
"4124313","13.88","","12.061","","18.168","","90","","106.43","","90","","2917.25","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Os3 (C O)8 S2)2","","- C16 O16 Os6 S4 -","- C16 O16 Os6 S4 -","- C64 O64 Os24 S16 -","4","1","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity, and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124314","12.019","","12.323","","11.217","","90","","115.41","","90","","1500.63","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H2 Os3 (C O)8) S2","","- C8 H2 O8 Os3 S2 -","- C8 H2 O8 Os3 S2 -","- C32 H8 O32 Os12 S8 -","4","0.5","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","153963","2020-10-21","18:00:00",""
"4124319","10.686","","8.686","","11.351","","90","","90","","90","","1053.58","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- B12 H16 -","- B12 H16 -","- B48 H64 -","4","1","","Brewer, C.T.; Grimes, R.N.","Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane","Journal of the American Chemical Society","1984","106","","2722","2723","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124423","8.95","","9.112","","8.928","","103.38","","93.75","","70.19","","666.351","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Lewis, G.E.; Fair, C.K.; Williams, J.M.; Mott, G.N.; Ross, F.K.; Schultz, A.J.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124424","8.942","","8.902","","8.774","","103.4","","95.2","","69.9","","637.985","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Mott, G.N.; Fair, C.K.; Lewis, G.E.; Schultz, A.J.; Ross, F.K.; Williams, J.M.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124435","16.656","","9.761","","16.776","","90","","118.09","","90","","2406.16","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","0.5","","Garlaschelli, L.; Martinengo, S.; Bellon, P.L.; Demartin, F.; Chiang, M.Y.; Manassero, M.; Wei, C.Y.; Bau, R.","Structures of Two Isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154909","2020-10-21","18:00:00",""
"4124436","13.622","","12.807","","18.589","","90","","132.65","","90","","2385.23","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","1","","Garlaschelli, L.; Martinengo, S.; Chiang, M.Y.; Bellon, P.L.; Demartin, F.; Manassero, M.; Bau, R.; Wei, C.Y.","Structures of two isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154910","2020-10-21","18:00:00",""
"4124463","15.933","","14.377","","12.952","","90","","90","","90","","2966.9","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 I14 K","","- I14 K Zr6 -","- I14 K Zr6 -","- I56 K4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124464","15.892","","14.288","","12.899","","90","","90","","90","","2928.91","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","K.46 Zr6 I14","","- I14 K0.46 Zr6 -","- I14 K0.46 Zr6 -","- I56 K1.84 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","156001","2020-10-21","18:00:00",""
"6000657","6.8893","","6.8893","","12.6462","","90","","90","","120","","519.81","","","","","","","","","","","","","3","P -3 1 m","","","","","","- Br6 Li2 U -","","","","","","Maletka, K.; Ressouche, E.; Rundlof, H.; Tellgren, R.; Delaplane, R.; Szczepaniak, W.; Zablocka-Malicka, M.","Phase transitions in the ionic conductor Li2UBr6 studied by neutron diffraction","Solid State Ionics","1998","106","","55","69","10.1016/S0167-2738(97)00480-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103391","4.06","","6.66","","7.99","","90","","90","","90","","216.046","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag Cu S -","- Ag Cu S -","- Ag4 Cu4 S4 -","4","0.25","","Frueh, A.J.jr.","The crystal structure of stromeyerite, Ag Cu S : A possible defect structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1955","106","","299","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9008064","5.84","","5.84","","5.84","","90","","90","","90","","199.177","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Berzelianite","- Cu2 Se -","- Cu2 Se -","- Cu8 Se4 -","4","0.0416667","","Borchert, W.","Gitterumwandlungen im system Cu2-x Se","Zeitschrift fur Kristallographie","1945","106","","5","24","10.1524/zkri.1945.106.1.5","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008065","5.729","","5.729","","5.729","","90","","90","","90","","188.034","","","","","","","","","","","","sample or refienement with low Cu1 occupancy","2","F -4 3 m","F -4 2 3","216","","","Berzelianite","- Cu1.8 Se -","- Cu1.8 Se -","- Cu7.2 Se4 -","4","0.0416667","","Borchert, W.","Gitterumwandlungen im System Cu2-x Se","Zeitschrift fur Kristallographie","1945","106","","5","24","10.1524/zkri.1945.106.1.5","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008066","5.729","","5.729","","5.729","","90","","90","","90","","188.034","","","","","","","","","","","","sample or refienement with high Cu1 occupancy","2","F -4 3 m","F -4 2 3","216","","","Berzelianite","- Cu1.8 Se -","- Cu1.8 Se -","- Cu7.2 Se4 -","4","0.0416667","","Borchert, W.","Gitterumwandlungen im System Cu~2-x~Se","Zeitschrift fur Kristallographie","1945","106","","5","24","10.1524/zkri.1945.106.1.5","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008067","5.729","","5.729","","5.729","","90","","90","","90","","188.034","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Berzelianite","- Cu1.8 Se -","- Cu1.8 Se -","- Cu7.2 Se4 -","4","0.0416667","","Borchert, W.","Gitterumwandlungen im System Cu~2-x~Se","Zeitschrift fur Kristallographie","1945","106","","5","24","10.1524/zkri.1945.106.16.5","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009691","7.99","","4.645","","9.115","","90","","78.3","","90","","331.261","","","","","","","","","","","","Synthetic","2","P 1 21/n 1","-P 2yn","14","","","Claudetite II","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Pertlik, F.","Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)","Monatshefte fur Chemie","1975","106","","755","762","10.1007/BF00902181","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009714","13.704","","16.82","","9.332","","90","","111.5","","90","","2001.36","","","","","","","","","","","","Kobokobo, Kivu, Democratic Republic of the Congo","5","P 1 21/a 1","-P 2yab","14","","","Upalite","- Al H15 O23 P2 U3 -","- Al H15 O23 P2 U3 -","- Al4 H60 O92 P8 U12 -","4","1","","Piret, P.; Declercq, J.-P.","Structure cristalline de l'upalite Al[(UO2)3O(OH)(PO4)2]*7H2O. Un exemple de macle mimetique","Bulletin de Mineralogie","1983","106","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009989","17.983","","17.966","","14.625","","90","","114.31","","90","","4306.12","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","8","C 1 2/c 1","-C 2yc","15","","","Tschernichite","- Al2.165 Ca0.592 H20 K0.023 Mg0.023 Na0.09 O20.64 Si5.835 -","- Al2.165 Ca0.592 H9.28 K0.023 Mg0.023 Na0.09 O20.64 Si5.835 -","- Al17.32 Ca4.736 H74.24 K0.184 Mg0.184 Na0.72 O165.12 Si46.68 -","8","1","","Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: large crystal, monoclinic","Journal of Physical Chemistry B","2002","106","","10277","10284","10.1021/jp021222h","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009990","12.634","","12.634","","26.608","","90","","90","","90","","4247.12","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","8","P 41 2 2","P 4w 2c","91","","","Tschernichite","- Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 -","- Al2.74 Ca0.89 H16.68 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 -","- Al10.96 Ca3.56 H66.72 K0.44 Mg0.32 Na0.32 O161.36 Si53.04 -","4","0.5","","Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths","Journal of Physical Chemistry B","2002","106","","10277","10284","10.1021/jp021222h","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9012088","10.704","","6.96","","14.533","","90","","116.81","","90","","966.323","","","","","","","","","","","","Shinkolobwe, Shaba, Zaire","4","P 1 21/c 1","-P 2ybc","14","","","Sayrite","- H10 O22 Pb2 U5 -","- H10 O22 Pb2 U5 -","- H20 O44 Pb4 U10 -","2","0.5","","Piret, P.; Deliens, M.; Piret-Meunier J; Germain, G.","La sayrite, Pb2[(UO2)5O6(OH)2]*4H2O, nouveau mineral; proprietes et structure cristalline Locality: Shinkolobwe, Shaba, Zaire","Bulletin de Mineralogie","1983","106","","299","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9017871","6.697","","9.2986","","6.6501","","83.458","","76.226","","69.581","","376.722","","","","","","","","","","","","In a diamond from the Juina area, Mato Grosso State, Brazil","3","P -1","-P 1","2","","","Breyite","- Ca O3 Si -","- Ca O3 Si -","- Ca6 O18 Si6 -","6","3","","Brenker, F. E.; Nestola, F.; Brenker, L.; Peruzzo, L.; Harris, J. W.","Origin, properties, and structure of breyite: The second most abundant mineral inclusion in super-deep diamonds","American Mineralogist","2021","106","","38","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""
"9017872","12.8926","","12.4658","","10.9178","","90","","97.92","","90","","1737.93","","","","","","","","","","","","the Santa Ana mine, San Luis province, Argentina","8","P 1 21/n 1","-P 2yn","14","","","Zhanghuifenite","- Al1.62 Ca0.22 Fe2.72 Mg3.36 Mn6.3 Na5.6 O48 P12 -","- Al1.62 Ca0.22 Fe2.72 Mg3.36 Mn6.3 Na5.6 O48 P12 -","- Al3.24 Ca0.44 Fe5.44 Mg6.72 Mn12.6 Na11.2 O96 P24 -","2","0.5","","Yang, H.; Kobsch, A.; Gu, X.; Downs, R. T.; Xie, X.","Zhanghuifenite, Na3Mn2+4Mg2Al(PO4)6, a new mineral isostructural with bobfergusonite, from the Santa Ana mine, San Luis province, Argentina","American Mineralogist","2021","106","","1009","1015","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:57",""