# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:37:44+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 63 c 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
"1000370","10.945","0.002","10.945","0.002","14.756","0.004","90","","90","","120","","1530.8","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Tricaesium nonafluorodigallate","","- Cs3 F9 Ga2 -","- Cs3 F9 Ga2 -","- Cs18 F54 Ga12 -","6","0.5","","de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D","The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9","European Journal of Solid State Inorganic Chemistry","1994","31","","115","122","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008751","7.16","0.01","7.16","0.01","7.36","0.01","90","","90","","120","","326.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Lanthanum fluoride","Fluocerite (La)","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","de Rango, C; Tsoucaris, G; Zelwer, C","Determination de la structure du fluorure de lanthane La F3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1966","263","","64","66","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008915","6.042","0.001","6.042","","11.37","0.01","90","","90","","120","","359.5","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Lutetium manganese(III) trioxide","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Yakel, H L; Koehler, W C; Bertaut, E F; Forrat, E F","On the crystal structure of the manganese(III) trioxides of the heavy lanthanides and yttrium","Acta Crystallographica (1,1948-23,1967)","1963","16","","957","962","10.1107/S0365110X63002589","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011023","7.82","","7.82","","7.36","","90","","90","","120","","389.8","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Dihydrogen oxide","Ice Ih","- H2 O -","- H2 O -","- H24 O12 -","12","1","","Bernal, J D; Fowler, R H","A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions","Journal of Chemical Physics","1933","1","","515","548","10.1063/1.1749327","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1510082","8.147","","8.147","","8.511","","90","","90","","120","","489.223","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- Au Cd3 -","- Au Cd3 -","- Au6 Cd18 -","6","0.5","","Schubert, K.; Alasafi, K.M.","Kristallstruktur von Au Cd3","Journal of the Less-Common Metals","1977","51","","225","233","10.1016/0022-5088(77)90084-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510872","9.425","","9.425","","17.599","","90","","90","","120","","1353.88","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ho Ba3 (B O3)3","","- B3 Ba3 Ho O9 -","- B3 Ba3 Ho O9 -","- B18 Ba18 Ho6 O54 -","6","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double borates Ln Ba3 (B O3)3 (Ln= Dy, Ho,T m, Yb, Lu)","Zhurnal Neorganicheskoi Khimii","1993","38","","1625","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510873","9.382","","9.382","","17.421","","90","","90","","120","","1327.99","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Lu Ba3 (B O3)3","","- B3 Ba3 Lu O9 -","- B3 Ba3 Lu O9 -","- B18 Ba18 Lu6 O54 -","6","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu)","Zhurnal Neorganicheskoi Khimii","1993","38","","1625","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510874","9.395","","9.395","","17.476","","90","","90","","120","","1335.88","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Tm Ba3 (B O3)3","","- B3 Ba3 O9 Tm -","- B3 Ba3 O9 Tm -","- B18 Ba18 O54 Tm6 -","6","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu)","Zhurnal Neorganicheskoi Khimii","1993","38","","1625","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510875","9.416","","9.416","","17.536","","90","","90","","120","","1346.46","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Y (B O3)3","","- B3 Ba3 O9 Y -","- B3 Ba3 O9 Y -","- B18 Ba18 O54 Y6 -","6","0.5","","Wang Guofu; Pan Shangke","Structure of low temperature phase beta-(Ba3 Y (B O3)3) crystal","Jiegon Huaxue","2003","22","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510878","9.411","","9.411","","17.481","","90","","90","","120","","1340.81","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Yb (B O3)3","","- B3 Ba3 O9 Yb -","- B3 Ba3 O9 Yb -","- B18 Ba18 O54 Yb6 -","6","0.5","","Khamaganova, T.N.; Bazarova, Zh.G.; Kuperman, N.M.","The double borates Ba3 Ln (B O3)3, Ln = La-Lu, Y","Journal of Solid State Chemistry","1999","145","","33","36","10.1006/jssc.1999.8163","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510879","9.383","","9.383","","17.441","","90","","90","","120","","1329.8","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Yb Ba3 (B O3)3","","- B3 Ba3 O9 Yb -","- B3 Ba3 O9 Yb -","- B18 Ba18 O54 Yb6 -","6","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double borates LnBa3(BO3)3(Ln=Dy,Ho,Tm,Yb,Lu)","Zhurnal Neorganicheskoi Khimii","1993","38","","1625","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1524041","10.967","","10.967","","7.79","","90","","90","","120","","811.416","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba10 (Re O5)6 Br2","","- Ba10 Br2 O30 Re6 -","- Ba10 Br2 O30 Re6 -","- Ba10 Br2 O30 Re6 -","1","0.0833333","","Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R.","Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I)","Materials Research Bulletin","1979","14","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","144697","2020-10-21","18:00:00",""
"1524042","10.932","","10.932","","7.776","","90","","90","","120","","804.797","","","","","","","","","","","","","5","P 63 c m","P 6c -2","185","","Ba10 (Re O5)6 I0.77 (O H)1.23","","- Ba10 H1.23 I0.77 O31.23 Re6 -","- Ba10 I0.77 O31.23 Re6 -","- Ba10 I0.77 O31.23 Re6 -","1","0.0833333","","Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R.","Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I)","Materials Research Bulletin","1979","14","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524071","10.912","","10.912","","7.774","","90","","90","","120","","801.648","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 O2","","- Ba5 O16 Re3 -","- Ba5 O16 Re3 -","- Ba10 O32 Re6 -","2","0.166667","","Besse, J.P.; Chevalier, R.; Baud, G.; Zarembowitch, J.","Mise en evidence de l'ion (O2)(-) dans l'apatite au rhenium Ba5 (Re O5)3 O2","Materials Research Bulletin","1980","15","","1255","1261","","","","","","","","","","","","","","","","","","","","","","has coordinates","144732","2020-10-21","18:00:00",""
"1527640","6.815","","6.815","","12.506","","90","","90","","120","","503.015","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Ni5 As2","","- As2 Ni5 -","- As2 Ni5 -","- As12 Ni30 -","6","0.5","","Kjekshus, A.; Skaug, K.E.","On the crystal structure of Ni5 As2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","582","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","149314","2020-10-21","18:00:00",""
"1527899","6.9593","","6.9593","","7.143","","90","","90","","120","","299.6","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Olofsson, O.","The crystal structure of Cu3 P","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","2777","2787","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528420","9.885","","9.885","","10.805","","90","","90","","120","","914.342","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","La8 Ru4 O21","","- La8 O21 Ru4 -","- La8 O21 Ru4 -","- La16 O42 Ru8 -","2","0.166667","","Cotton, F.A.; Rice, C.E.","La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal structure type","Journal of Solid State Chemistry","1978","24","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","150614","2020-10-21","18:00:00",""
"1530071","12.746","","12.746","","6.248","","90","","90","","120","","879.062","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Rb V Br3","","- Br3 Rb V -","- Br3 Rb V -","- Br18 Rb6 V6 -","6","0.5","","Hauser, A.; Falk, U.; Fischer, P.; Guedel, H.U.","Magnetic order in A V X3 (A= Rb, Cs, (C D3)4 N; X= Cl, Br, I): A neutron diffraction study","Journal of Solid State Chemistry","1985","56","","343","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531437","6.172","","6.172","","11.482","","90","","90","","120","","378.791","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Y2 (Cu Ti O6)","","- Cu O6 Ti Y2 -","- Cu O6 Ti Y2 -","- Cu3 O18 Ti3 Y6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531439","6.252","","6.252","","11.422","","90","","90","","120","","386.644","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Tb2 (Cu Ti O6)","","- Cu O6 Tb2 Ti -","- Cu O6 Tb2 Ti -","- Cu3 O18 Tb6 Ti3 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Martinson, A.B.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531442","6.214","","6.214","","11.483","","90","","90","","120","","383.998","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Dy2 (Cu Ti O6)","","- Cu Dy2 O6 Ti -","- Cu Dy2 O6 Ti -","- Cu3 Dy6 O18 Ti3 -","3","0.25","","Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531445","6.18","","6.18","","11.499","","90","","90","","120","","380.336","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ho2 (Cu Ti O6)","","- Cu Ho2 O6 Ti -","- Cu Ho2 O6 Ti -","- Cu3 Ho6 O18 Ti3 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531447","6.144","","6.144","","11.506","","90","","90","","120","","376.147","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Er2 (Cu Ti O6)","","- Cu Er2 O6 Ti -","- Cu Er2 O6 Ti -","- Cu3 Er6 O18 Ti3 -","3","0.25","","Floros, N.; Poeppelmeier, K.R.; Rijssenbeek, J.T.; Martinson, A.B.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531450","6.113","","6.113","","11.504","","90","","90","","120","","372.296","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Tm2 (Cu Ti O6)","","- Cu O6 Ti Tm2 -","- Cu O6 Ti Tm2 -","- Cu3 O18 Ti3 Tm6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531453","6.095","","6.095","","11.515","","90","","90","","120","","370.461","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Yb2 (Cu Ti O6)","","- Cu O6 Ti Yb2 -","- Cu O6 Ti Yb2 -","- Cu3 O18 Ti3 Yb6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531456","6.057","","6.057","","11.516","","90","","90","","120","","365.887","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Lu2 (Cu Ti O6)","","- Cu Lu2 O6 Ti -","- Cu Lu2 O6 Ti -","- Cu3 Lu6 O18 Ti3 -","3","0.25","","Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531913","5.028","","5.028","","13.216","","90","","90","","120","","289.348","","","","","","","","","","","","","7","P 63 c m","P 6c -2","185","","K1.32 (Mg0.95 Cr0.02 Al0.03)2 (Si2 O6 (O H))","","- Al0.06 Cr0.04 H K1.32 Mg1.9 O7 Si2 -","- Al0.06 Cr0.04 K1.32 Mg1.9 O7 Si2 -","- Al0.12 Cr0.08 K2.64 Mg3.8 O14 Si4 -","2","0.166667","","Mancini, F.; Harlow, G.E.; Cahill, C.","The crystal structure and cation ordering of Phase-X- (K1-x-n)2 (Mg1-n (Al, Cr)n)2 Si2 O7 H2x : a potential K- and H-bearing phase in the mantle","American Mineralogist","2002","87","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532806","9.41908","","9.41908","","17.5949","","90","","90","","120","","1351.87","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Y (B O3)3","","- B3 Ba3 O9 Y -","- B3 Ba3 O9 Y -","- B18 Ba18 O54 Y6 -","6","0.5","","Li, X.Z.; Chen, X.L.; Wu, L.; Zhou, T.; Cao, Y.G.; Xu, Y.P.","Ba3 Y B3 O9 : phase transition and crystal structure","Journal of Alloys Compd.","2004","370","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532983","6.1822","","6.1822","","11.4526","","90","","90","","120","","379.071","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Dy (Mn O3)","","- Dy Mn O3 -","- Dy Mn O3 -","- Dy6 Mn6 O18 -","6","0.5","","Kamegashira, N.; Satoh, H.; Ashizuka, S.","Synthesis and crystal structure of hexagonal Dy Mn O3","Materials Science Forum","2004","449","","1045","1048","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533192","9.1208","","9.1208","","6.193","","90","","90","","120","","446.167","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Ba3 Cr S5 -","- Ba3 Cr S5 -","- Ba6 Cr2 S10 -","2","0.166667","","Fukuoka, H.; Miyaki, Y.; Yamanaka, S.","High-pressure synthesis and structures of novel chromium sulfides, Ba3 Cr S5 and Ba3 Cr2 S6 with one-dimensional chain structures","Journal of Solid State Chemistry","2003","176","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533975","6.0459","","6.0459","","11.4074","","90","","90","","120","","361.11","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Lu (Mn O3)","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Katsufuji, T.; Masaki, M.; Machida, A.; Moritomo, M.; Takagi, H.; Kato, K.; Sakata, M.; Takata, M.; Ohoyama, K.; Nishibori, E.; Kitazawa, K.","Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","134434-1","134434-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533978","6.1483","","6.1483","","11.4432","","90","","90","","120","","374.618","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Y (Mn O3)","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Katsufuji, T.; Masaki, M.; Nishibori, E.; Machida, A.; Ohoyama, K.; Takagi, H.; Kato, K.; Moritomo, M.; Kitazawa, K.; Sakata, M.; Takata, M.","Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","134434-1","134434-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533980","6.1258","","6.1258","","11.2407","","90","","90","","120","","365.3","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","(Y0.8 Zr0.2) (Mn O3)","","- Mn O3 Y0.8 Zr0.2 -","- Mn O3 Y0.8 Zr0.2 -","- Mn6 O18 Y4.8 Zr1.2 -","6","0.5","","Katsufuji, T.; Sakata, M.; Machida, A.; Masaki, M.; Kato, K.; Moritomo, M.; Ohoyama, K.; Nishibori, E.; Takata, M.; Takagi, H.; Kitazawa, K.","Crystal structure and magnetic properties of hexagonal R Mn O3 (R= Y, Lu and Sc) and the effect of doping","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","134434-1","134434-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534589","11.054","","11.054","","7.718","","90","","90","","120","","816.722","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 N O3","","- Ba5 N O18 Re3 -","- Ba5 N O18 Re3 -","- Ba10 N2 O36 Re6 -","2","0.166667","","Aneas, M.; Besse, J.P.; Picard, J.P.; Baud, G.; Chevalier, R.","Mise en evidence de l'ion N O3(-) dans l'apatite au rhenium Ba5 (Re O5)3 N O3","Materials Chemistry and Physics","1983","8","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534862","10.83","","10.83","","7.855","","90","","90","","120","","797.873","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 F (Re O5)3","","- Ba5 F O15 Re3 -","- Ba5 F O15 Re3 -","- Ba10 F2 O30 Re6 -","2","0.166667","","Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.","Comparative d'apatites contenant l'ion (Re O5)3-. Structure des fluoro et carbonatoapatites","Annales de Chimie (Paris)","1980","5","","575","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534866","10.938","","10.938","","7.788","","90","","90","","120","","806.924","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 (C O3)0.5","","- C0.5 Ba5 O15 Re3 -","- C0.5 Ba5 O15 Re3 -","- C Ba10 O30 Re6 -","2","0.166667","","Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.","Comparative d'apatites contenant l'ion (re O5)(3-). Structure des fluoro et carbonatoapatites","Annales de Chimie (Paris)","1980","5","","575","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535337","7.887","","7.887","","8.366","","90","","90","","120","","450.684","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.97 Mg2.03)","","- In0.97 Ir Mg2.03 -","- In0.968333 Ir Mg2.03167 -","- In5.81 Ir6 Mg12.19 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535341","7.886","","7.886","","8.327","","90","","90","","120","","448.469","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.8 Mg2.2)","","- In0.8 Ir Mg2.2 -","- In0.798 Ir Mg2.202 -","- In4.788 Ir6 Mg13.212 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537007","19.082","","19.082","","6.691","","90","","90","","120","","2109.94","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","(Cu I)3 (P4 S4)","","- Cu3 I3 P4 S4 -","- Cu3 I3 P4 S4 -","- Cu18 I18 P24 S24 -","6","0.5","","Reiser, S.; Brunklaus, G.; Hong, J.H.; Chan, J.C.C.; Pfitzner, A.; Eckert, H.","(Cu I)3 P4 S4: preparation, structural and NMR spectroscopic characterization of a copper(I) halide adduct with beta- (P4 S4)","Chemistry - A European Journal","2002","8","","4228","4233","","","","","","","","","","","","","","","","","","","","","","has coordinates","164948","2020-10-21","18:00:00",""
"1537577","7.179","","7.179","","7.345","","90","","90","","120","","327.831","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","U F3","","- F3 U -","- F3 U -","- F18 U6 -","6","0.5","","Laveissiere, J.","Application de la diffraction de neutrons a l'etude de la structure","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","304","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538262","5.5009","","5.5009","","10.722","","90","","90","","120","","280.979","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Li8 O2 (Ge O4)","","- Ge Li8 O6 -","- Ge Li8 O6 -","- Ge2 Li16 O12 -","2","0.166667","","Hofmann, R.; Hoppe, R.","Ein neues Oxogermanat: Li8 Ge O6 = Li8 O2 (Ge O4) (Mit einer Bemerkung ueber Li8 Si O6 und Li4 Ge O4 )","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","118","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538264","5.4243","","5.4243","","10.626","","90","","90","","120","","270.762","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Li8 O2 (Si O4)","","- Li8 O6 Si -","- Li8 O6 Si -","- Li16 O12 Si2 -","2","0.166667","","Hofmann, R.; Hoppe, R.","Ein neues Oxogermanat: Li8 Ge O6 = Li8 O2 (Ge O4) (Mit einer Bemerkung ueber Li8 Si O6 und Li4 Ge O4 )","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","555","","118","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539988","13.863","","13.863","","6.807","","90","","90","","120","","1132.92","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Rb V I3","","- I3 Rb V -","- I3 Rb V -","- I18 Rb6 V6 -","6","0.5","","Zandbergen, H.W.","Neutron Powder Diffraction and Magnetic Measurements on Rb Ti I3, Rb V I3, and Cs V I3","Journal of Solid State Chemistry","1981","37","","308","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539989","14.024","","14.024","","6.796","","90","","90","","120","","1157.52","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Rb Ti I3","","- I3 Rb Ti -","- I3 Rb Ti -","- I18 Rb6 Ti6 -","6","0.5","","Zandbergen, H.W.","Neutron Powder Diffraction and Magnetic Measurements on Rb Ti I3, Rb V I3, and Cs V I3","Journal of Solid State Chemistry","1981","37","","308","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1560625","6.14624","0.00008","6.14624","","11.38463","0.00026","90","","90","","120","","372.451","0.01","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560626","6.18081","0.00005","6.18081","","11.37786","0.00017","90","","90","","120","","376.428","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560627","6.21121","0.00004","6.21121","","11.37066","0.00014","90","","90","","120","","379.9","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560628","6.222219","0.000035","6.222219","","11.36779","0.00012","90","","90","","120","","381.151","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560629","6.24323","0.00005","6.24323","","11.36346","0.00013","90","","90","","120","","383.583","0.005","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:40",""
"1560630","6.26324","0.00005","6.26324","","11.35052","0.00014","90","","90","","120","","385.607","0.006","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M.","Oxygen-storage behavior and local structure in Ti-substituted YMnO3","Journal of Solid State Chemistry","2017","246","","29","41","10.1016/j.jssc.2016.10.029","","","","","","","","","","","","","","","","","","","","","has coordinates","262215","2021-02-25","08:59:42",""
"1565090","19.2135","0.0003","19.2135","0.0003","12.0481","0.0002","90","","90","","120","","3851.79","0.11","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","K2Ba3Li6Ga28S49","","","- Ba3 Ga28 K2 Li6 S49 -","- Ba3.01 Ga28 K1.99 Li6 S49 -","- Ba6.02 Ga56 K3.98 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0178","0.0161","","","0.0333","0.0337","","","","","","1.057","","","","has coordinates","271239","2021-12-07","04:04:11",""
"1565091","19.306","0.0004","19.306","0.0004","12.0861","0.0004","90","","90","","120","","3901.23","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Cs2Ba3Li6Ga28S49","","","- Ba3 Cs2 Ga28 Li6 S49 -","- Ba3.01 Cs1.99 Ga28 Li6 S49 -","- Ba6.02 Cs3.98 Ga56 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0546","0.0559","","","","","","1.036","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565092","19.2355","0.0004","19.2355","0.0004","12.0475","0.0004","90","","90","","120","","3860.42","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Rb2Ba3Li6Ga28S49","","","- Ba3 Ga28 Li6 Rb2 S49 -","- Ba3.01 Ga28 Li6 Rb1.99 S49 -","- Ba6.02 Ga56 Li12 Rb3.98 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0206","0.018","","","0.0426","0.0435","","","","","","1.016","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1568476","9.8279","0.0007","9.8279","0.0007","8.0179","0.0009","90","","90","","120","","670.68","0.1","100","2","99.97","0.12","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H30 B P -","- C36 H30 B P -","- C36 H30 B P -","1","0.0833333","","Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo","An easy-to-perform evaluation of steric properties of Lewis acids","Chemical Science","2023","14","9","2275","2288","10.1039/D3SC00037K","","x-ray","1.54184","CuKα","","0.0693","0.0536","","","0.1434","0.1562","","","","","","1.107","","","","has coordinates,has disorder","281389","2023-03-04","18:02:05",""
"1568586","6.3088","0.0001","6.3088","0.0001","12.3067","0.0004","90","","90","","120","","424.195","0.017","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le","Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone","Crystals","2023","13","2","287","","10.3390/cryst13020287","","","0.71073","MoKα","","0.0449","0.0415","","","0.0847","0.0885","","","","","","1.257","","","","has coordinates","281626","2023-03-05","03:27:49",""
"1570780","9.4435","0.0003","9.4435","0.0003","15.3288","0.0006","90","","90","","120","","1183.87","0.07","296","","296","","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ba2 F31 K3 Zr6 -","- Ba2 F31 K3 Zr6 -","- Ba4 F62 K6 Zr12 -","2","0.166667","","Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters.","Chemical science","2024","15","8","2883","2888","10.1039/d3sc06683e","","","0.71073","MoKα","","0.0163","0.0163","","","0.0376","0.0377","","","","","","1.166","","","","has coordinates","290118","2024-03-04","20:00:00",""
"2011820","6.1387","0.0003","6.1387","0.0003","11.4071","0.0009","90","","90","","120","","372.27","0.04","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Yttrium manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0506","0.0372","","","","0.1065","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011821","6.1277","0.0005","6.1277","0.0005","11.411","0.001","90","","90","","120","","371.06","0.05","180","","180","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Ytrrium Manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0484","0.0372","","","","0.1085","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017068","8.1004","0.00001","8.1004","0.00001","10.60052","0.00001","90","","90","","120","","602.38","0.0012","298","","298","","","","","","","","","4","P 63 c m","P 6c -2","185","","lithium barium silicate","","- Ba Li2 O4 Si -","- Ba Li2 O4 Si -","- Ba6 Li12 O24 Si6 -","6","0.5","SQ3185","Kim, Jinyoung; Ahn, Docheon; Kulshreshtha, Chandramouli; Sohn, Kee-Sun; Shin, Namsoo","Lithium barium silicate, Li~2~BaSiO~4~, from synchrotron powder data","Acta Crystallographica Section C","2009","65","4","i14","i16","10.1107/S0108270109006118","","","1.5496","synchrotron","","","","","","","","","","1.7","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021794","9.9966","0.0012","9.9966","0.0012","7.9461","0.001","90","","90","","120","","687.68","0.15","120","2","120","2","","","","","","","","3","P 63 c m","P 6c -2","185","","2,4,6-Tricyclobutyl-1,3,5-trioxane","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","0.166667","KQ2025","Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V.","Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane","Acta Crystallographica Section E Crystallographic Communications","2019","75","11","1578","","10.1107/S205698901900896X","","","0.71073","MoKα","","0.0417","0.0406","","","0.107","0.1083","","","","","","1.026","","","","has coordinates","219178","2020-10-21","18:00:00",""
"2106118","11.795","","11.795","","5.926","","90","","90","","120","","713.983","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","K (Ni Cl3)","","- Cl3 K Ni -","- Cl3 K Ni -","- Cl18 K6 Ni6 -","6","0.5","","Visser, D.; Ijdo, D.J.W.; Verschoor, G.C.","The structure of K Ni Cl3 at room temperature","Acta Crystallographica B (24,1968-38,1982)","1980","36","","28","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106682","6.065","","6.065","","11.615","","90","","90","","120","","370.008","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Y (Ga O3)","","- Ga O3 Y -","- Ga O3 Y -","- Ga6 O18 Y6 -","6","0.5","","Geller, S.; Jeffries, J.B.; Curlander, P.J.","The crystal structure of a new high-temperature modification of Y Ga O3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2770","2774","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200261","6.1121","0.0005","6.1121","0.0005","11.42","0.0014","90","","90","","120","","369.47","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Er Mn O3 -","- Er Mn O3 -","- Er6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal ErMnO~3~","Acta Crystallographica, Section E","2001","57","","i38","i40","10.1107/S160053680100811X","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200581","6.0584","0.0006","6.0584","0.0006","11.3561","0.0007","90","","90","","120","","360.97","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal YbMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i87","i89","10.1107/S1600536801015094","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2200582","6.038","0.001","6.038","0.001","11.361","0.001","90","","90","","120","","358.7","0.09","293","","295","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal LuMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i101","i103","10.1107/S1600536801015896","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2218761","11.8542","0.0003","11.8542","0.0003","7.9908","0.0003","90","","90","","120","","972.45","0.05","298","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","2,4,6-tricyclohexyl-1,3,5-trioxane","","- C21 H36 O3 -","- C21 H36 O3 -","- C42 H72 O6 -","2","0.166667","LH2635","Moreno-Fuquen, Rodolfo; Rios, Eunice; Paredes, Rodrigo; Jaramillo, Luz Marina; Zukerman-Schpector, Julio","Redetermination of 2,4,6-tricyclohexyl-1,3,5-trioxane","Acta Crystallographica Section E","2008","64","7","o1301","","10.1107/S1600536808018084","","","0.71073","MoKα","","0.044","0.035","","","0.093","0.096","","","","","","1.181","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2300161","6.22215","0.00008","6.22215","","11.37072","0.00016","90","","90","","120","","381.241","0.007","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.13213","","2.34","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300163","6.132019","0.000033","6.132019","","11.38556","0.00012","90","","90","","120","","370.759","0.004","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","KO5041","Jeong, Il-Kyoung; Hur, N.; Proffen, Th.","High-temperature structural evolution of hexagonal multiferroic YMnO~3~ and YbMnO~3~","Journal of Applied Crystallography","2007","40","4","730","734","10.1107/S0021889807025101","powder diffraction","neutron","","","","","","","","","","0.11142","","3.21","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310677","5.49","","5.49","","14.17","","90","","90","","120","","369.867","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe8 O18 Si2 -","2","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000462","8.8525","0.0011","8.8525","0.0011","17.327","0.003","90","","90","","120","","1175.9","0.3","293","2","293","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C6 K2 Mg2 N6 O3 S6 -","- C6 K2 Mg2 N6 O3 S6 -","- C12 K4 Mg4 N12 O6 S12 -","2","0.166667","","","","Chemistry of Materials","2004","","","","","10.1021/cm031048p","","","0.71073","MoKα","","0.1035","0.0389","","","0.0595","0.0622","","","","","","0.83","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001094","15.141","0.002","15.141","0.002","9.3313","0.0019","90","","90","","120","","1852.6","0.5","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C3 H31 Co8 O34 P9 -","- C3 H15 Co8 O34.02 P9 -","- C6 H30 Co16 O68.04 P18 -","2","0.166667","","Zhao, Lang; Li, Jiyang; Chen, Peng; Li, Guanghua; Yu, Jihong; Xu, Ruren","2H3O·[Co8(HPO3)9(CH3OH)3]·2H2O: An Open-Framework Cobalt Phosphite Containing Extra-Large 18-Ring Channels","Chemistry of Materials","2008","20","1","17","","10.1021/cm7021906","","","0.71073","MoKα","","0.0637","0.056","","","0.1546","0.1602","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001737","9.227","","9.227","","17.135","","90","","90","","120","","1263.39","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Sc (B O3)3","","- B3 Ba3 O9 Sc -","- B3 Ba3 O9 Sc -","- B18 Ba18 O54 Sc6 -","6","0.5","","Cox, J.R.; Huang, J.-F.; Keszler, D.A.","The layered borates Ba3 M (B O3)3 (M=Dy,Ho,Y,Er,Tm,Yb,Lu and Sc)","Chemistry of Materials (1,1989-)","1994","6","","2008","2013","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002229","9.8467","","9.8467","","4.8075","","90","","90","","120","","403.675","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ba (Mn O3)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba6 Mn6 O18 -","6","0.5","","Cussen, E.J.; Battle, P.D.","Crystal and magnetic structures of 2H Ba Mn O3","Chemistry of Materials (1,1989-)","2000","12","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002323","6.1413","","6.1413","","11.4122","","90","","90","","120","","372.753","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ho (Mn O3)","","- Ho Mn O3 -","- Ho Mn O3 -","- Ho6 Mn6 O18 -","6","0.5","","Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T.","Evolution of the magnetic structure of hexagonal Ho Mn O3 from neutron powder diffraction data","Chemistry of Materials (1,1989-)","2001","13","","1497","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002672","10.07782","0.000019","10.07782","0.000019","33.44271","0.00009","90","","90","","120","","2941.48","0.011","293","","293","","","","","","","","","4","P 63 c m","P 6c -2","185","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75333 O42 Ta10.2533 -","- Ba42 Mn5.26 O126 Ta30.76 -","3","0.25","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4031663","6.26","","6.26","","12.249","","90","","90","","120","","415.7","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Y In O3","","- In O3 Y -","- In O3 Y -","- In6 O18 Y6 -","6","0.5","","Pistorius, C.W.F.T.; Kruger, G.J.","Stability and structure of noncentrosymmetric hexagonal Ln In O3. (Ln = Eu, Gd, Tb, Dy, Ho, Y)","Journal of Inorganic and Nuclear Chemistry","1976","38","","1471","1475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4105295","6.9986","0.0004","6.9986","","7.1357","0.0006","90","","90","","120","","302.68","0.03","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth","Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors","Journal of the American Chemical Society","2009","131","","16177","16188","10.1021/ja905730n","powder diffraction","x-ray","1.54051","Kα~1~","","","","","","","","0.47963","","25.52","","","","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105420","6.1709","0.0006","6.1709","0.0006","11.77","0.002","90","","90","","120","","388.15","0.08","173","2","173","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- In0.37 Mn0.63 O3 Y -","- In0.37 Mn0.63 O3 Y -","- In2.22 Mn3.78 O18 Y6 -","6","0.5","","Andrew E. Smith; Hiroshi Mizoguchi; Kris Delaney; Nicola A. Spaldin; Arthur W. Sleight; M. A. Subramanian","Mn3+ in Trigonal Bipyramidal Coordination: A New Blue Chromophore","Journal of the American Chemical Society","2009","131","","17084","17086","10.1021/ja9080666","","","0.71073","MoKα","","0.028","0.0211","","","0.0389","0.0421","","","","","","1.149","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4316790","19.41","0.003","19.41","0.003","14.829","0.003","90","","90","","120","","4838.3","1.4","100","2","100","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ag2 Cs S6 Te -","- Ag2 Cs S6 Te -","- Ag36 Cs18 S108 Te18 -","18","1.5","","Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","(Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides","Inorganic Chemistry","2010","49","","9098","9100","10.1021/ic1011346","","","0.71073","MoKα","","0.0868","0.0754","","","0.138","0.1445","","","","","","1.137","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316791","19.146","0.003","19.146","0.003","14.642","0.003","90","","90","","120","","4648.2","1.4","100","2","100","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ag2 Rb S6 Te -","- Ag2 Rb S6 Te -","- Ag36 Rb18 S108 Te18 -","18","1.5","","Sandy L. Nguyen; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","(Ag2TeS3)2.A2S6 (A = Rb, Cs): Layers of Silver Thiotellurite Intergrown with Alkali-Metal Polysulfides","Inorganic Chemistry","2010","49","","9098","9100","10.1021/ic1011346","","","0.71073","MoKα","","0.0938","0.0769","","","0.1509","0.1604","","","","","","1.21","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4322004","19.601","0.002","19.601","0.002","6.7196","0.0006","90","","90","","120","","2235.8","0.4","298","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Cu3 I3 P4 Se4 -","- Cu3 I3 P4 Se4 -","- Cu18 I18 P24 Se24 -","6","0.5","","Arno Pfitzner; Sara Reiser","(CuI)~3~P~4~Se~4~: β-P~4~Se~4~ Cages between Columns of Copper Iodide","Inorganic Chemistry","1999","38","","2451","2454","10.1021/ic981042f","","x-ray","0.71073","MoKα","","0.0613","0.0589","","0.145","0.1449","","","","4.55","4.69","4.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324111","28.794","0.002","28.794","0.002","20.603","0.004","90","","90","","120","","14793","3","106","2","106","2","","","","","","","","2","P 63 c m","P 6c -2","185","SU-63","","","- Ge21 O51 -","- Ge21 O51 -","- Ge126 O306 -","6","0.5","","Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou","Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings","Inorganic Chemistry","2011","50","","201","207","10.1021/ic1017505","","x-ray","0.908","synchrotron","","0.1112","0.0851","","","0.2163","0.2422","","","","","","1.03","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4331670","25.1234","0.0004","25.1234","0.0004","8.412","0.0002","90","","90","","120","","4598.19","0.15","293","2","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Ba7 S15 Sn5 -","- Ba7 S15 Sn5 -","- Ba42 S90 Sn30 -","6","0.5","","Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He","Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20","Inorganic Chemistry","2013","52","","273","279","10.1021/ic301804n","","","0.71073","MoKα","","0.0357","0.0349","","","0.0904","0.0912","","","","","","1.01","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4344978","21.346","0.007","21.346","0.007","13.033","0.004","90","","90","","120","","5143","3","273","","273","","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H9 N O8 Pb2 -","- C21 H9 N O8 Pb2 -","- C126 H54 N6 O48 Pb12 -","6","0.5","","Wu, Yun-Long; Qian, Jinjie; Yang, Guo-Ping; Yang, Fan; Liang, Yu-Tong; Zhang, Wen-Yan; Wang, Yao-Yu","High CO2 Uptake Capacity and Selectivity in a Fascinating Nanotube-Based Metal-Organic Framework.","Inorganic chemistry","2017","56","2","908","913","10.1021/acs.inorgchem.6b02491","","","0.71073","MoKα","","0.0452","0.0326","","","0.0667","0.0699","","","","","","1.009","","","","has coordinates,has disorder","191338","2020-10-21","18:00:00",""
"4348516","18.389","0.005","18.389","0.005","17.969","0.005","90","","90","","120","","5262","2","230","2","230","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 Co0.5 N3.33 O14.67 Zn2.5 -","- C24.6666 H26 Co0.5 N3.33333 O14.6666 Zn2.5 -","- C148 H156 Co3 N20 O87.9998 Zn15 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0942","0.0893","","","0.2113","0.2138","","","","","","1.158","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4348517","18.368","0.01","18.368","0.01","17.964","0.01","90","","90","","120","","5249","5","220","2","220","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24.67 H30.67 N3.33 O14.67 Zn3 -","- C24.6666 H26 N3.33333 O14.6666 Zn3 -","- C148 H156 N20 O87.9998 Zn18 -","6","0.5","","Pariyar, Anand; Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Tetragonal versus Hexagonal: Structure-Dependent Catalytic Activity of Co/Zn Bimetallic Metal-Organic Frameworks.","Inorganic chemistry","2016","55","18","9250","9257","10.1021/acs.inorgchem.6b01288","","","0.71073","MoKα","","0.0842","0.0532","","","0.1238","0.1428","","","","","","1.051","","","","has coordinates","233045","2020-10-21","18:00:00",""
"4350522","16.239","0.011","16.239","0.011","7.458","0.005","90","","90","","120","","1703","2","150","2","150","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H11.8 N3 O13.4 Y2 -","- C21 H9 N3 O12 Y2 -","- C42 H18 N6 O24 Y4 -","2","0.166667","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.106","0.0783","","","0.223","0.233","","","","","","1.09","","","","has coordinates","239917","2020-10-21","18:00:00",""
"4350523","16.224","0.005","16.224","0.005","7.412","0.002","90","","90","","120","","1689.6","0.9","150","2","150","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C21 H15 Er2 N3 O15 -","- C21 H9 Er2 N3 O12 -","- C42 H18 Er4 N6 O24 -","2","0.166667","","Jia, Junhua; Lin, Xiang; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Shao, Limin; Walker, Gavin; Wilson, Claire; Schröder, Martin","Triggered ligand release coupled to framework rearrangement: generating crystalline porous coordination materials.","Inorganic chemistry","2006","45","22","8838","8840","10.1021/ic061095u","","","0.71073","MoKα","","0.0707","0.0552","","","0.134","0.142","","","","","","1.07","","","","has coordinates","239918","2020-10-21","18:00:00",""
"7035412","10.08267","0.00002","10.08267","0.00002","19.05159","0.00006","90","","90","","120","","1677.31","0.007","","","","","","","","","","","","5","P 63 c m","P 6c -2","185","","","Perovskite","- Ba8 Nb5.1 O24 Sb0.9 Zn -","- Ba8 Nb5.1 O24 Sb0.9 Zn -","- Ba24 Nb15.3 O72 Sb2.7 Zn3 -","3","0.25","","Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping","Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13173","13185","10.1039/c5dt00859j","","","","","","","","","","","","","","","","","","","","","has coordinates","190380","2020-10-21","18:00:00",""
"7110006","15.7431","0.0005","15.7431","0.0005","12.5624","0.0005","90","","90","","120","","2696.4","0.16","200","0.14","200","0.14","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C53 H72 B3 F12 N6 -","- C53 H72 B3 F12 N6 -","- C106 H144 B6 F24 N12 -","2","0.166667","","Candela Segarra; Jens Linke; Elena Mas-Marza; Dietmar Kuck; Eduardo Peris","A C3v-symmetrical tribenzotriquinacene-based threefold N-heterocyclic carbene. Coordination to rhodium(I) and stereoelectronic properties","Chem.Commun.","2013","49","","10572","","10.1039/c3cc46155f","","","1.5418","CuKα","","0.0754","0.0696","","","0.1947","0.2093","","","","","","1.026","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7204780","16.466","0.0001","16.466","0.0001","7.7375","0.0001","90","","90","","120","","1816.8","0.03","296","2","296","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H42 Eu2 O12 -","- C36 H42 Eu2 O12 -","- C72 H84 Eu4 O24 -","2","0.166667","","Franck Millange; Christian Serre; Jérôme Marrot; Nicole Gardant; Fabienne Pellé; Gérard Férey","Synthesis, structure and properties of a three-dimensional porous rare-earth carboxylate MIL-83(Eu): Eu2(O2C-C10H14-CO2)3","J. Mater. Chem.","2004","14","4","642","645","10.1039/b314343k","","","0.71073","MoKα","","0.092","0.0727","","","0.1919","0.2153","","","","","","1.125","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7214750","18.5924","0.0008","18.5924","0.0008","17.9643","0.0009","90","","90","","120","","5377.9","0.4","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24 H24 N6 O14 Zn3 -","- C24 H5 N6 O14 Zn3 -","- C144 H30 N36 O84 Zn18 -","6","0.5","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0849","0.0699","","","0.1766","0.187","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7217215","6.1545","0.0003","6.1545","0.0003","11.4533","0.001","90","","90","","120","","375.7","0.04","200","2","200","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Schmidt-Grund, Rüdiger; Richter, Steffen; Ebbinghaus, Stefan G.; Lorenz, Michael; Bundesmann, Carsten; Grundmann, Marius","Electronic transitions and dielectric function tensor of a YMnO3 single crystal in the NIR‒VUV spectral range","RSC Advances","2014","","","","","10.1039/C4RA05036C","","","0.71073","MoKα","","0.0299","0.0176","","","0.0386","0.0398","","","","","","0.958","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222583","7.905","","7.905","","8.256","","90","","90","","120","","446.791","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Rh Mg3","","- Mg3 Rh -","- Mg3 Rh -","- Mg18 Rh6 -","6","0.5","","Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D.","Synthesis and structure of Rh Mg3 and Ir3 Mg13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7237332","6.3301","0.0004","6.3301","0.0004","12.334","0.0017","90","","90","","120","","428.01","0.07","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Gd In O3 -","- Gd In O3 -","- Gd6 In6 O18 -","6","0.5","","Li, Yanbin; Wang, Yazhong; Tan, Wenjie; Wang, Wenbo; Zhang, Junjie; Kim, Jae Wook; Cheong, Sang-Wook; Tao, Xutang","Laser floating zone growth of improper geometric ferroelectric GdInO3 single crystals with Z6 topological defects","Journal of Materials Chemistry C","2018","6","26","7024","","10.1039/C8TC01664J","","","0.71073","MoKα","","0.0268","0.0205","","","0.0425","0.0451","","","","","","1.128","","","","has coordinates","237605","2020-10-21","18:00:00",""
"8100296","10.783","0.002","10.783","0.002","11.147","0.002","90","","90","","120","","1122.5","0.4","293","2","293","2","","","","","","","","2","P 63 c m","P 6c -2","185","","","","- As Cs3 -","- As Cs3 -","- As6 Cs18 -","6","0.5","","Hirt, Holger; Deiseroth, Hans Jörg","Crystal structure of tricaesium arsenide, Cs~3~As","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","6","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100987","5.0279","0.0007","5.0279","0.0008","13.2161","0.0019","90","0.002","90","0.002","120","0.002","289.34","0.07","293","2","293","2","","","","","","","","7","P 63 c m","P 6c -2","185","","","","- Al4 Cr4 H1.37 K2.63 Mg4 O14 Si4 -","- K1.3116 Mg2.124 O7.054 Si2 -","- K2.6232 Mg4.248 O14.108 Si4 -","2","0.166667","","Mancini, Franco; Harlow, George; Cahill, Cristopher L.","Crystal structure of potassium dimagnesium disilicate hydroxide, K~1.3~ (Mg~0.95~Al~0.03~Cr~0.02~)~2~Si~2~O~6.4~(OH)~0.6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","189","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102899","7.987","0.001","7.987","0.001","8.422","0.001","90","","90","","120","","465.28","0.1","293","2","293","2","","","","","","","","2","P 63 c m","P 6c -2","185","Trimagnesium palladium","Trimagnesium palladium","","- Mg3 Pd -","- Mg3 Pd -","- Mg18 Pd6 -","6","0.5","","Makongo, J. P. A.; Kudla, C.; Prots, Yu.; Niewa, R.; Burkhardt, U.; Kreiner, G.","Crystal structure of trimagnesium monopalladium, Mg~3~Pd","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","289","292","","","","0.71073","MoKα","","0.0232","0.0225","","","0.0445","0.0447","","","","","","1.426","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8104378","11.6784","","11.6784","","19.2545","","90","","90","","120","","2274.21","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba9 Ge23 O53 (O H)4","","- Ba9 Ge23 H4 O57 -","- Ba9 Ge23 O57 -","- Ba18 Ge46 O114 -","2","0.166667","","Ozima, M.","Structure of a high pressure phase Ba9 Ge23 O53 (O H)4","Zeitschrift fuer Kristallographie (149,1979-)","1986","175","","125","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9001091","5.318","","5.318","","14.541","","90","","90","","120","","356.141","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H8 Mg6 O18 Si4 -","2","0.166667","","Mellini, M.; Zanazzi, P. F.","Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy Sample: Lizardite-2H1 Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints","American Mineralogist","1987","72","","943","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:11",""
"9002656","5.0812","","5.0812","","13.2112","","90","","90","","120","","295.397","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","Phase-X","","Phase-X","- K1.54 Mg1.92 O7 Si2 -","- K1.54 Mg1.92 O7 Si2 -","- K3.08 Mg3.84 O14 Si4 -","2","0.166667","","Yang, H.; Konzett, J.; Prewitt, C. T.","Crystal structure of phase X, a high pressure alkali-rich hydrous silicate and its anhydrous equivalent Sample: JKW56","American Mineralogist","2001","86","","1483","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002668","5.028","","5.028","","13.216","","90","","90","","120","","289.348","","","","","","","","","","","","","6","P 63 c m","P 6c -2","185","Phase-X","","Phase-X","- Al0.06 Cr0.02 K6 Mg1.84 O7 Si2 -","- Al0.06 Cr0.02 K6 Mg1.84 O7 Si2 -","- Al0.12 Cr0.04 K12 Mg3.68 O14 Si4 -","2","0.166667","","Mancini, F.; Harlow, G. E.; Cahill, C. L.","The crystal structure and cation ordering of phase-X - (K1-x-n)2(Mg1-n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing phase in the mantle","American Mineralogist","2002","87","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004511","5.317","","5.317","","14.551","","90","","90","","120","","356.252","","","","293.15","","","","","","","","","4","P 63 c m","P 6c -2","185","","","Lizardite-2H1","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H8 Mg6 O18 Si4 -","2","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 20 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004512","5.336","","5.336","","14.614","","90","","90","","120","","360.356","","","","573.15","","","","","","","","","3","P 63 c m","P 6c -2","185","","","Lizardite-2H1","- Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg6 O18 Si4 -","2","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 300 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004513","5.345","","5.345","","14.662","","90","","90","","120","","362.76","","","","748.15","","","","","","","","","4","P 63 c m","P 6c -2","185","","","Lizardite-2H1","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H8 Mg6 O18 Si4 -","2","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 475 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9006336","5.073","","5.073","","14.013","","90","","90","","120","","312.314","","","","","","","","","","synthesized at 1000 C","synthesized at 1000 C and 17 GPa","","3","P 63 c m","P 6c -2","185","","","Phase-F","- Mg0.78 O3 Si1.06 -","- Mg0.78 O3 Si1.06 -","- Mg4.68 O18 Si6.36 -","6","0.5","","Kudoh, Y.; Nagase, T.; Sasaki, S.; Tanaka, M.; Kanzaki, M.","Phase F, a new hydrous magnesium silicate synthesized at 1000 C and 17 GPa: Crystal structure and estimated bulk modulus Note: The authors withdrew this structure, it is not Phase-F See PCM 24 (1997) 610","Physics and Chemistry of Minerals","1995","22","","295","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007905","6.0584","","6.0584","","11.3561","","90","","90","","120","","360.974","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","","Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M.","Hexagonal YbMnO3 revisited","Acta Crystallographica, Section E","2001","57","","i87","i89","10.1107/S1600536801015094","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007909","6.038","","6.038","","11.361","","90","","90","","120","","358.702","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M.","Hexagonal LuMnO3 revisited","Acta Crystallographica, Section E","2001","57","","i101","i103","10.1107/S1600536801015896","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009518","9.0921","","9.0921","","24.923","","90","","90","","120","","1784.27","","","","","","","","","","","","Synthetic","4","P 63 c m","P 6c -2","185","","","Plumbonacrite","- C3 H2 O12 Pb5 -","- C3 H2 O12 Pb5 -","- C18 H12 O72 Pb30 -","6","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of basic lead carbonates II. Crystal structure of synthetic `plumbonacrite'","Mineralogical Magazine","2000","64","","1069","1075","10.1180/002646100549887","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9012382","7.606","","7.606","","13.863","","90","","90","","120","","694.545","","","","","","","","","","","","Synthetic","2","P 63 c m","P 6c -2","185","","","Stibiopalladinite","- Pd5 Sb2 -","- Pd5 Sb2 -","- Pd30 Sb12 -","6","0.5","","El-Boragy M; Bhan, S.; Schubert, K.","Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten","Journal of the Less-Common Metals","1970","22","","445","458","10.1016/0022-5088(70)90132-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012383","6.825","","6.825","","12.513","","90","","90","","120","","504.774","","","","","","","","","","","","Synthetic","2","P 63 c m","P 6c -2","185","","","Orcelite","- As2 Ni5 -","- As2 Ni5 -","- As12 Ni30 -","6","0.5","","El-Boragy M; Bhan, S.; Schubert, K.","Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten","Journal of the Less-Common Metals","1970","22","","445","458","10.1016/0022-5088(70)90132-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9017906","6.7922","","6.7922","","12.4975","","90","","90","","120","","499.315","","","","","","","","","","","","Bon Accord oxide body, South Africa","4","P 63 c m","P 6c -2","185","","","Orcelite","- As5.79 Fe0.15 Ni14.25 Sb0.06 -","- As11.58 Fe0.3 Ni28.5 Sb0.12 -","- As11.58 Fe0.3 Ni28.5 Sb0.12 -","","","","Bindi, L.; Tredoux, M.; Zaccarini, F.; Miller, D. E.; Garuti, G.","Non-stoichiometric nickel arsenides in nature: The structure of orcelite, Ni5-xAs2 (x = 0.25), from the Bon Accord oxide body, South Africa","Journal of Alloys and Compounds","2014","601","","175","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""