# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:56:47+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A 1 2/a 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001691","5.3791","0.0006","5.3811","0.0009","24.58899","0.003","90","","89.93","0.01","90","","711.7","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Bismuth strontium copper oxide (1.9/1.8/1/5.5)","","- Bi1.916 Cu O5.482 Sr1.84 -","- Bi1.9158 Cu O5.482 Sr1.84 -","- Bi7.6632 Cu4 O21.928 Sr7.36 -","4","0.5","","Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d","Acta Crystallographica B (39,1983-)","1992","48","","407","418","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1521693","10.08029","","5.87311","","14.86206","","90","","103.617","","90","","855.141","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","K3 D (Se O4)2","","- D K3 O8 Se2 -","- D K3 O8 Se2 -","- D4 K12 O32 Se8 -","4","0.5","","Onoda-Yamamuro, N.; Yamamuro, O.; Matsuo, T.; Ichikawa, M.; Ibberson, R.M.; David, W.I.F.","Neutron diffraction study on hydrogen bond structure in K3 H (Se O4)2 and K3 D (Se O4)2 crystals","Journal of Physics: Condensed Matter","2000","12","","8559","8565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523828","7.149","","8.906","","6.667","","90","","113.4","","90","","389.57","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Ca Sn (Si O4) O","","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Higgins, J.B.; Ross, F.K.","The crystal structure of malayaite: Ca Sn O Si O4","Crystal Structure Communications","1977","6","","179","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524950","24.94","","10.131","","16.7219","","90","","105.6","","90","","4069.43","","","","","","","","","","","","","9","A 1 2/a 1","-A 2ya","15","","K Na4 Ca (Mn9.9 Fe4.1) Al (O H)2 (P O4)12","","- Al Ca Fe4.1 H2 K Mn9.9 Na4 O50 P12 -","- Al Ca Fe4.06 K Mn9.94 Na4 O50 P12 -","- Al4 Ca4 Fe16.24 K4 Mn39.76 Na16 O200 P48 -","4","0.5","","Moore, P.B.; Araki, T.; Merlino, S.; Zanazzi, P.F.; Mellini, M.","The arrojadite - dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524951","24.693","","10.031","","16.453","","90","","105.72","","90","","3922.91","","","","","","","","","","","","","9","A 1 2/a 1","-A 2ya","15","","K Na5 Ca (Fe10 Mn3) Al F2 (P O4)12","","- Al Ca F2 Fe10 K Mn3 Na5 O48 P12 -","- Al Ca F2 Fe10.01 K Mn2.99 Na5 O48 P12 -","- Al4 Ca4 F8 Fe40.04 K4 Mn11.96 Na20 O192 P48 -","4","0.5","","Moore, P.B.; Zanazzi, P.F.; Araki, T.; Merlino, S.; Mellini, M.","The Arrojdite - Dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524952","24.73","","10.057","","16.526","","90","","105.78","","90","","3955.27","","","","","","","","","","","","","10","A 1 2/a 1","-A 2ya","15","","K Na5 Ca (Fe8.5 Mn4.5) Al F (O H) (P O4)12","","- Al Ca F Fe8.5 H K Mn4.5 Na5 O49 P12 -","- Al Ca F Fe8.502 K Mn4.498 Na5 O49 P12 -","- Al4 Ca4 F4 Fe34.008 K4 Mn17.992 Na20 O196 P48 -","4","0.5","","Moore, P.B.; Araki, T.; Zanazzi, P.F.; Merlino, S.; Mellini, M.","The arrojadite - dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530027","16.11","","5.432","","15.041","","90","","95.49","","90","","1310.19","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","(Zn2.4 Mg1.2 Mn0.4) Zn3 (C O3)2 (O H)10","","- C2 H10 Mg1.2 Mn0.4 O16 Zn5.4 -","- C2 H10 Mg1.2 Mn0.4 O16 Zn5.4 -","- C8 H40 Mg4.8 Mn1.6 O64 Zn21.6 -","4","0.5","","Grice, J.D.; Dunn, P.J.","Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement","American Mineralogist","1989","74","","1355","1359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531366","7.152","","8.888","","6.667","","90","","113.37","","90","","389.033","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Ca Sn O (Si O4)","","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Eremin, N.N.; Urusov, V.S.; Rusakov, V.S.; Yakubovich, O.V.","Precision X-ray diffraction and Moessbauer studies and computer simulation of the structure and properties of malayaite Ca Sn O Si O4","Kristallografiya","2002","47","","825","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535242","11.037","","6.415","","16.062","","90","","102.69","","90","","1109.45","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Cs3 H (Se O4)2","","- Cs3 H O8 Se2 -","- Cs3 H O8 Se2 -","- Cs12 H4 O32 Se8 -","4","0.5","","Merinov, B.V.; Bolotina, N.B.; Baranov, A.I.; Shuvalov, L.A.","Crystal structure of ferroelastic phase II of Cs3H(SeO4)2","Kristallografiya","1991","36","","1131","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","209181","2020-10-21","18:00:00",""
"1536749","7.086","","13.348","","12.613","","90","","111.85","","90","","1107.29","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Na1.9 Ni1.05 (Mo O4)2","","- Mo2 Na1.9 Ni1.05 O8 -","- Mo2 Na1.9 Ni1.04933 O8 -","- Mo12 Na11.4 Ni6.296 O48 -","6","0.75","","Klevtsova, R.F.; Borisov, S.V.; Bliznyuk, N.A.; Glinskaya, L.A.; Klevtsov, P.V.","Crystal structures of double molybdates Na4Cu(MoO4)3 and Na2Ni(MoO4)2 - new members of the alluodite family","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","127","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","209181","2020-10-21","18:00:00",""
"1537148","13.865","","12.163","","7.087","","90","","90.7","","90","","1195.06","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Li2 Ba (P2 O7)","","- Ba Li2 O7 P2 -","- Ba Li2 O7 P2 -","- Ba8 Li16 O56 P16 -","8","1","","Kutoglu, A.; Allmann, R.; Nikolov, V.; Petrov, K.","The crystal structure of Li2 Ba P2 O7","Private Communication","2003","2003","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","209181","2020-10-21","18:00:00",""
"1542151","5.225","","8.955","","9.783","","90","","107","","90","","437.744","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","(Zn.2 Mn.08 Fe.24 Ti0.44)2 Ti2 O7","","- Fe0.48 Mn0.16 O7 Ti2.88 Zn0.4 -","- Fe0.48 Mn0.15 O7 Ti2.87 Zn0.39 -","- Fe1.92 Mn0.6 O28 Ti11.48 Zn1.56 -","4","0.5","","Nikolaeva, L.E.; Belov, N.V.","Crystal Structure of Landauite","Doklady Akademii Nauk SSSR","1970","190","","1098","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1551105","9.777","0.001","5.674","0.001","14.667","0.001","90","","102.97","0.01","90","","792.89","0.17","14","","14","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D0.25 K1.25 O4 S -","- D K1.5 O4 S -","- D8 K12 O32 S8 -","8","1","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0726","0.0517","","0.0359","0.0342","0.0333","","","","","","1.0907","","","","has coordinates","215441","2020-10-21","18:00:00",""
"1551106","9.7776","0.001","5.681","0.001","14.7008","0.001","90","","103.051","0.01","90","","795.49","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D K3 O8 S2 -","- D K3 O8 S2 -","- D4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0192","0.0176","","0.0206","0.02","0.02","","","","","","1.0636","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551107","9.6996","0.001","5.6344","0.001","14.5241","0.001","90","","102.728","0.01","90","","774.26","0.17","12","","12","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0513","0.0486","","0.0521","0.0509","0.0509","","","","","","0.8854","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551108","9.7038","0.001","5.6385","0.001","14.5256","0.001","90","","102.953","0.01","90","","774.54","0.17","5","","5","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.037","0.0273","","0.0237","0.0234","0.0234","","","","","","1.101","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551109","9.8061","0.001","5.6869","0.001","14.7024","0.001","90","","102.926","0.01","90","","799.12","0.17","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 S2 -","- H K3 O8 S2 -","- H4 K12 O32 S8 -","4","0.5","","Francois Fillaux; Alain Cousson","Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition","Journal of Chemical Physics","2012","137","","074504","","10.1063/1.4745181","","","0.8308","neutron","","0.0536","0.0244","","0.0159","0.0138","0.0138","","","","","","1.0765","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1566639","9.0926","0.0004","7.5409","0.0004","10.2547","0.0005","90","","109.144","0.004","90","","664.24","0.06","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","ice V","","","- D2 O -","- D2 O -","- D56 O28 -","28","3.5","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure and ordering of ices III and V","The Journal of Chemical Physics","2000","112","","7169","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273833","2022-03-20","04:32:57",""
"1567272","9.19256","0.0001","7.52147","0.00011","10.31017","0.00011","90","","109.317","0.0009","90","","672.728","0.015","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","ice V","","","- D2 O -","- D2.01029 O -","- D56.288 O28 -","28","3.5","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276772","2022-07-16","05:54:21",""
"2000154","14.941","0.005","7.05","0.001","24.832","0.004","90","","90.48","0.02","90","","2615.6","1","","","","","","","","","","","","6","A 1 2/a 1","","","","","","- C22 H26 N4 O2 P2 S4 -","- C22 H26 N4 O2 P2 S4 -","- C88 H104 N16 O8 P8 S16 -","4","0.5","AB0216","Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J.","Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[<i>a</i>,<i>h</i>]anthracene","Acta Crystallographica Section C","1991","47","12","2676","2677","10.1107/S010827019100639X","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2000581","10.1291","0.0008","5.9038","0.0005","14.961","0.001","90","","103.64","0.008","90","","869.44","0.12","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- H K3 O8 Se2 -","- H K3 O8 Se2 -","- H4 K12 O32 Se8 -","4","0.5","AB0265","Ichikawa, M.; Sato, S.; Komukae, M.; Osaka, T.","Structure of ferroelastic K~3~H(SeO~4~)~2~","Acta Crystallographica Section C","1992","48","9","1569","1571","10.1107/S0108270192001379","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205833","2020-10-21","18:00:00",""
"2000609","16.149","0.001","7.205","0.005","15.358","0.005","90","","115.09","0.05","90","","1618.3","1.4","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C12 H22 Cu I N4 -","- C12 H22 Cu I N4 -","- C48 H88 Cu4 I4 N16 -","4","0.5","HH0580","Bao, X.; Holt, E. M.","Structure of the condensation product formed by pyrrolidine, acetonitrile and copper(I) iodide","Acta Crystallographica Section C","1992","48","9","1655","1657","10.1107/S0108270192000684","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2000941","10.4775","0.0006","6.0856","0.0011","15.4206","0.0011","90","","102.919","0.009","90","","958.4","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2000942","10.4019","0.0007","6.049","0.0011","15.3206","0.0014","90","","102.827","0.008","90","","939.9","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2000943","10.3827","0.0007","6.039","0.0011","15.2935","0.0013","90","","102.816","0.008","90","","935","0.2","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- D O8 Rb3 Se2 -","- D O8 Rb3 Se2 -","- D4 O32 Rb12 Se8 -","4","0.5","AB0220","Ichikawa, M.; Gustafsson, T.; Olovsson, I.","Structure of Rb~3~D(SeO~4~)~2~ at 25, 110 and 297 K","Acta Crystallographica Section C","1992","48","4","603","607","10.1107/S0108270191011708","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205826","2020-10-21","18:00:00",""
"2001236","10.653","0.001","7.2936","0.0006","10.6398","0.0009","90","","95.26","0.01","90","","823.22","0.12","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","N,N'-dimethylpiperazine-2,3-dithione","","- C6 H10 N2 S2 -","- C6 H10 N2 S2 -","- C24 H40 N8 S8 -","4","0.5","SH1061","De Ridder, D. J. A.","Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction","Acta Crystallographica Section C","1993","49","11","1975","1976","10.1107/S0108270193005086","","","1.5418","CopperKα","","0.039","0.037","","0.073","0.07","","","","1.18","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001371","16.32","0.001","9.153","0.001","8.649","0.001","90","","95.21","0.01","90","","1286.6","0.2","293","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","","","","","- C6 H16 Cl2 Hg N4 -","- C6 H16 Cl2 Hg N4 -","- C24 H64 Cl8 Hg4 N16 -","4","0.5","SH1015","Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.","Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~]","Acta Crystallographica Section C","1993","49","9","1596","1598","10.1107/S0108270193002124","","","0.70926","MoKα~1~","","","0.039","","","0.0392","","","","","2.54","2.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001410","28.875","0.004","6.82","0.002","19.572","0.002","90","","108.56","0.01","90","","3653.8","1.3","297","","","","","","","","","","","3","A 1 2/a 1","","","","(1R^*^,6aR^*^,14aR^*^,14bS^*^,13E)-6a,14c-epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","1","AS1054","Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.","Cyclobutane structures fused to a 13-membered ring","Acta Crystallographica Section C","1993","49","9","1680","1683","10.1107/S0108270193002677","","","1.5405","CuKα~1~","","","0.0683","","","0.061","","","","","1.995","1.995","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001555","17.099","0.005","10.091","0.003","11.386","0.004","90","","92.09","0.03","90","","1963.3","1.1","294","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","","","","","- C20 H20 I2 N2 O -","- C20 H20 I2 N2 O -","- C80 H80 I8 N8 O4 -","4","0.5","AS1030","Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.","Structure of diiodide salts of <i>N</i>-heteroaromatic dications","Acta Crystallographica Section C","1993","49","7","1398","1401","10.1107/S0108270193000393","","","0.71068","MoKα","","","0.035","","","0.039","","","","","1.428","1.428","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2001556","21.867","0.005","6.119","0.001","14.47","0.004","90","","90.52","0.03","90","","1936.1","0.8","294","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","0.5","AS1030","Mori, Y.; Matsuyama, Y.; Suzuki, J.; Ishii, Y.; Yamada, S.; Maeda, K.","Structure of diiodide salts of <i>N</i>-heteroaromatic dications","Acta Crystallographica Section C","1993","49","7","1398","1401","10.1107/S0108270193000393","","","0.71068","MoKα","","","0.039","","","0.04","","","","","1.401","1.401","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001561","20.529","0.002","17.075","0.002","11.82","0.001","90","","98.65","0.01","90","","4096.2","0.7","298","","298","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","1,3-acetonebis(triphenylphosphonium)(trifluoromethanesulfonate)","","- C41 H34 F6 O7 P2 S2 -","- C41 H34 F6 O7 P2 S2 -","- C164 H136 F24 O28 P8 S8 -","4","0.5","SH1045","Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.","Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","1993","49","7","1409","1410","10.1107/S0108270193001660","","","0.7093","MoKα~1~","","","0.061","","","0.059","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001942","26.414","0.003","12.433","0.002","11.41","0.002","90","","98.63","0.02","90","","3704.7","1","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C36 H34 Mn3 N4 O12 -","- C36 H34 Mn3 N4 O12 -","- C144 H136 Mn12 N16 O48 -","4","0.5","AS0573","Tsuneyoshi, K.; Kobayashi, H.; Miyamae, H.","Structure of hexa-μ-acetato-1κ^3^<i>O</i>:2κ^3^<i>O'</i>;2κ^3^<i>O</i>:3κ^3^<i>O'</i>-bis(1,10-phenanthroline)-1κ^2^<i>N</i>^1^,<i>N</i>^10^;2κ^2^<i>N</i>^1^,<i>N</i>^10^-trimanganese(II)","Acta Crystallographica Section C","1993","49","2","233","236","10.1107/S0108270192006395","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205830","2020-10-21","18:00:00",""
"2002891","6.1676","0.0001","6.1661","0.0001","20.8093","0.0003","90","","91","0.01","90","","791.26","0.02","295","","295","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- Al4.5 Fe Si -","- Al5.5 Fe -","- Al44 Fe8 -","8","1","AB0388","Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon","β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure","Acta Crystallographica Section B","1998","54","4","351","357","10.1107/S0108768197017047","","","1.0983","synchrotronX-ray","","","","","","","","","","4.452","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003398","16.961","0.005","13.219","0.002","11.598","0.002","90","","81.41","0.02","90","","2571.2","1","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C120 H104 N8 O32 -","8","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.041","0.041","","0.041","0.041","","","","0.93","0.93","0.93","","","","","has coordinates","218197","2020-10-21","18:00:00",""
"2004884","10.38719","0.00008","6.03925","0.00002","15.29563","0.00007","90","","102.825","0.0004","90","","935.572","0.009","4","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Trirubidiumhydrogendiselenide","","- H O8 Rb3 Se2 -","- H2 O8 Rb3 Se2 -","- H8 O32 Rb12 Se8 -","4","0.5","JZ1057","Melzer, R.; Sonntag, R.; Knight, K. S.","Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","5","1061","1063","10.1107/S0108270195011085","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006663","23.756","0.002","6.9151","0.0005","28.381","0.002","90","","95.457","0.006","90","","4641.2","0.6","293","","293","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.096","0.06","","0.1764","0.1571","","","","1.071","1.255","1.255","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008866","23.727","0.003","5.837","0.0005","14.377","0.002","90","","98.337","0.01","90","","1970.1","0.4","293","1","293","1","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)","","- C12 H26 N2 Ni2 S6 -","- C12 H26 N2 Ni2 S6 -","- C48 H104 N8 Ni8 S24 -","4","0.5","BM1327","Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven","Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-<i>N</i>,<i>S</i>,<i>S</i>':<i>S</i>']dinickel(II)","Acta Crystallographica Section C","1999","55","9","1436","1438","10.1107/S010827019900760X","","","0.71069","MoKα","","0.104","0.044","","","","0.097","","","","","","0.963","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009508","10.0464","0.0008","5.8561","0.0004","14.8215","0.0013","90","","103.629","0.012","90","","847.44","0.12","30","","30","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Tripotassium hydrogenbis(selenate)","","- H K3 O8 Se2 -","- H2 K3 O8 Se2 -","- H8 K12 O32 Se8 -","4","0.5","AB1083","Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar","K~3~H(SeO~4~)~2~ at 297 and 30 K","Acta Crystallographica Section C","1994","50","3","330","332","10.1107/S0108270193009709","","","0.71073","MoKα","","0.0557","0.0549","","","0.0648","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009509","10.1325","0.0005","5.9042","0.0003","14.962","0.0007","90","","103.638","0.007","90","","869.85","0.08","297","","297","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Tripotassium hydrogenbis(selenate)","","- H K3 O8 Se2 -","- H2 K3 O8 Se2 -","- H8 K12 O32 Se8 -","4","0.5","AB1083","Ichikawa, Mizuhiko; Gustafsson, Torbjörn; Olovsson, Ivar","K~3~H(SeO~4~)~2~ at 297 and 30 K","Acta Crystallographica Section C","1994","50","3","330","332","10.1107/S0108270193009709","","","0.71073","MoKα","","","0.0855","","","0.0561","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100794","5.3791","0.0006","5.3811","0.0009","24.589","0.003","90","","89.93","0.01","90","","711.74","0.17","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- Bi2.08 Cu O6 Sr1.84 -","- Bi2 Cu O6 Sr2 -","- Bi8 Cu4 O24 Sr8 -","4","0.5","DU0333","Leligny, H.; Durcok, S.; Labbe, P.; Ledesert, M.; Raveau, B.","X-ray investigation of the incommensurate modulated structure of Bi~2.08~Sr~1.84~CuO~6{-~δ}","Acta Crystallographica Section B","1992","48","4","407","418","10.1107/S0108768192002143","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205831","2020-10-21","18:00:00",""
"2101059","12.857","0.001","5.0272","0.0002","20.997","0.002","90","","97.072","0.008","90","","1346.81","0.18","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C56 H40 N8 O32 -","8","1","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101145","6.161","0.003","6.175","0.003","20.813","0.006","90","","90.42","0.03","90","","791.8","0.6","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- Al4 Fe Si -","- Al5.5 Fe -","- Al44 Fe8 -","8","1","AB0317","Rømming, C.; Hansen, V.; Gjønnes, J.","Crystal structure of β-Al~4.5~FeSi","Acta Crystallographica Section B","1994","50","3","307","312","10.1107/S0108768193013096","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101622","5.519","0.0006","4.865","0.0005","40.256","0.004","90","0.009","91.02","0.009","90","0.009","1080.7","0.19","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Antimony niobium titanium oxide","","- Nb2.11 O14 Sb3.89 Ti -","- Nb2.12 O14 Sb3.88 Ti -","- Nb8.48 O56 Sb15.52 Ti4 -","4","0.5","BR0050","Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.","Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~","Acta Crystallographica Section B","1996","52","6","932","938","10.1107/S0108768196008075","","","0.7107","MoKα","","0.062","0.047","","0.035","0.034","","","","4.121","4.238","4.238","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101623","5.492","0.0005","4.837","0.0005","40.165","0.004","90","0.009","91.08","0.009","90","0.009","1066.79","0.18","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Antimony tantalum titanium oxide","","- O14 Sb4.26 Ta1.74 Ti -","- O14 Sb4.26 Ta1.74 Ti -","- O56 Sb17.04 Ta6.96 Ti4 -","4","0.5","BR0050","Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.","Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~","Acta Crystallographica Section B","1996","52","6","932","938","10.1107/S0108768196008075","","","0.7107","MoKα","","0.075","0.063","","0.081","0.08","","","","4.081","4.504","4.504","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107628","5.3869","0.0005","5.3874","0.0004","24.579","0.003","90","","90.01","0.01","90","","713.32","0.12","","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","bismuth strontium copper oxide","","","- Bi2.27 Cu O6.18 Sr1.73 -","- Bi2.27 Cu O6.246 Sr1.73 -","- Bi9.08 Cu4 O24.984 Sr6.92 -","4","0.5","BP5088","Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V.","New insight on bismuth cuprates with incommensurate modulated structures","Acta Crystallographica Section B","2016","72","3","395","403","10.1107/S2052520616005643","","","0.71069","MoKα","","0.0407","0.0407","","","0.0518","0.0518","","","","3.78","3.78","3.78","","","","has coordinates,has Fobs","183120","2020-10-21","18:00:00",""
"2310425","9.22","","7.54","","10.35","","90","","109.2","","90","","679.497","","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","","","","- H2 O -","- H2 O -","- H56 O28 -","28","3.5","","Kamb, B.; Prakash, A.; Knobler, C.","Structure of Ice V","Acta Crystallographica (1,1948-23,1967)","1967","22","","706","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310525","6.65","","4.79","","7.86","","90","","112.4","","90","","231.477","","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","N H2 N O2","","- H2 N2 O2 -","- H2 N2 O2 -","- H8 N8 O8 -","4","0.5","","Beevers, C.A.; Trotman-Dickenson, A.F.","The Crystal Structure of Nitramide, N H2 N O2","Acta Crystallographica (1,1948-23,1967)","1957","10","","34","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"4002441","6.119","","6.132","","15.167","","90","","107.86","","90","","541.667","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","(Eu Ca) Ca (Cu2 O6)","","- Ca2 Cu2 Eu O6 -","- Ca2 Cu2 Eu O6 -","- Ca8 Cu8 Eu4 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002442","6.084","","6.148","","15.34","","90","","108.262","","90","","544.885","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Eu2 Ca (Cu2 O6)","","- Ca Cu2 Eu2 O6 -","- Ca Cu2 Eu2 O6 -","- Ca4 Cu8 Eu8 O24 -","4","0.5","","Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.","Structure and magnetic properties of Eu2 Ca Cu2 O6","Chemistry of Materials (1,1989-)","2006","18","","4585","4591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4314933","26.3735","0.0008","13.4268","0.0004","18.3958","0.0006","90","","92.237","0.003","90","","6509.2","0.3","","","","","","","","","","","","7","A 1 2/a 1","-A 2ya","15","","","","- C27 H35 Cl Cu N7 O6 Os -","- C27 H35 Cl Cu N7 O6 Os -","- C216 H280 Cl8 Cu8 N56 O48 Os8 -","8","1","","Jun-Fang Guo; Wai-Fun Yeung; Pui-Ha Lau; Xiu-Teng Wang; Song Gao; Wing-Tak Wong; Stephen Sin-Yin Chui; Chi-Ming Che; Wai-Yeung Wong; Tai-Chu Lau","trans-[OsIII(salen)(CN)2]-: A New Paramagnetic Building Block for the Construction of Molecule-Based Magnetic Materials","Inorganic Chemistry","2010","49","","1607","1614","10.1021/ic9020178","powder diffraction","x-ray","1.5406","","","","","","","","","0.08711","","1.39","","","","","","","has coordinates","179229","2020-10-21","18:00:00",""
"4504081","19.704","0.007","7.299","0.002","25.698","0.007","90","","108.3","0.03","90","","3509","1.9","292","2","292","2","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C38 H38 N8 O6 -","- C38 H38 N8 O6 -","- C152 H152 N32 O24 -","4","0.5","","Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang","Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions","Crystal Growth & Design","2007","7","4","741","","10.1021/cg060764b","","","0.71073","MoKα","","0.1635","0.0689","","","0.169","0.2101","","","","","","0.972","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4505350","15.7274","0.0018","8.6102","0.0008","19.2642","0.0017","90","","97.735","0.008","90","","2584.9","0.4","293","","293","","","","","","","","?","6","A 1 2/a 1","-A 2ya","15","","","","- C6 H13 Cl2 Cu Hg N5 -","- C6 H13 Cl2 Cu Hg N5 -","- C48 H104 Cl16 Cu8 Hg8 N40 -","8","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.022","","","","0.0269","","","","","","1.2321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7152363","27.9648","0.0013","9.851","0.0006","34.664","0.0017","90","","101.179","0.004","90","","9368.1","0.9","140","1","140","1","","","","","","","","3","A 1 2/a 1","-A 2ya","15","cone-3","","","- C57 H66 O6 -","- C57 H66 O6 -","- C456 H528 O48 -","8","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0872","0.0772","","","0.1336","0.1385","","","","","","1.243","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7204034","11.482","0.006","8.33","0.003","35.04","0.01","90","","94.87","0.04","90","","3339","2","50","","50","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C12 H8 N1.5 S4 Se4 -","- C12 H8 N1.5 S4 Se4 -","- C96 H64 N12 S32 Se32 -","8","1","","Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao","First-order phase transition in the organic metal κ-(BETS)2C(CN)3","Journal of Materials Chemistry","2001","11","2","332","","10.1039/b007174i","","","0.71069","MoKα","","","0.082","","","0.092","","","","","2.69","2.69","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221393","6.84","","4.56","","16.51999","","90","","97","","90","","511.424","","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","S3 N2 O2","","- N2 O2 S3 -","- N2 O2 S3 -","- N8 O8 S12 -","4","0.5","","Weiss, J.","Die Kristall- und Molekuelstruktur von Trischwefel Distickstoffdioxyd, S3 N2 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1961","16","","477","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7702490","15.8308","0.0014","10.8103","0.0012","22.99","0.002","90","","111.259","0.008","90","","3666.7","0.6","293","2","293","2","","","","","","","","7","A 1 2/a 1","-A 2ya","15","Complex 6","","","- C35 H34 B2 Cu F8 N8 O -","- C35 H34 B2 Cu F8 N8 O -","- C140 H136 B8 Cu4 F32 N32 O4 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0579","0.0357","","0.0857","0.0745","","","","1.033","1.089","1.089","","","","","has coordinates,has disorder","243881","2020-10-21","18:00:00",""
"7703829","15.089","0.002","8.773","0.003","13.454","0.002","90","","111.74","0.03","90","","1654.3","0.7","100","2","100","2","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","","- C12 H10 Co0.57 Fe0.43 K N10 -","- C12 H10 Co0.5761 Fe0.4239 K N10 -","- C48 H40 Co2.3044 Fe1.6956 K4 N40 -","4","0.5","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0556","0.0513","","","0.1362","0.1407","","","","","","1.122","","","","has coordinates","252764","2020-10-21","18:00:00",""
"9000829","24.692","","10.031","","16.453","","90","","105.78","","90","","3921.59","","","","","","","","","","","","Nancy mine, North Groton, New Hampshire, USA","8","A 1 2/a 1","-A 2ya","15","","","Arrojadite-(KFe)","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al4 Ca4 F8 Fe56 K4 Na16 O192 P48 -","4","0.5","","Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F.","The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NM","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000830","24.73","","10.057","","16.526","","90","","105.78","","90","","3955.27","","","","","","","","","","","","Nickel Plate mine, Keystone, South Dakota, USA","8","A 1 2/a 1","-A 2ya","15","","","Arrojadite-(KFe)","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al4 Ca4 F8 Fe56 K4 Na16 O192 P48 -","4","0.5","","Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F.","The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NP","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000831","24.94","","10.131","","16.722","","90","","105.6","","90","","4069.46","","","","","","","","","","","","Branchville, Connecticut, USA","8","A 1 2/a 1","-A 2ya","15","","","Dickinsonite-(KMnNa)","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al Ca F2 Fe14 K Na4 O48 P12 -","- Al4 Ca4 F8 Fe56 K4 Na16 O192 P48 -","4","0.5","","Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F.","The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: crystal structure and crystal chemistry sample BR","American Mineralogist","1981","66","","1034","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000923","7.05","","8.681","","6.539","","90","","113.9","","90","","365.879","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hollabaugh, C. L.; Foit, F. F.","The crystal structure of an Al-rich titanite from Grisons, Switzerland","American Mineralogist","1984","69","","725","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001256","16.11","","5.432","","15.041","","90","","95.49","","90","","1310.19","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Sclarite","- C2 H10 O16 Zn7 -","- C2 H10 O16 Zn7 -","- C8 H40 O64 Zn28 -","4","0.5","","Grice, J. D.; Dunn, P. J.","Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement","American Mineralogist","1989","74","","1355","1359","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001320","8.667","","4.4419","","14.242","","90","","107.418","","90","","523.147","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Grandreefite","- F2 O4 Pb2 S -","- F2 O4 Pb2 S -","- F8 O16 Pb8 S4 -","4","0.5","","Kampf, A. R.","Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide oxide sulfates, Ln2O2SO4","American Mineralogist","1991","76","","278","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001736","7.1535","","8.8933","","6.6674","","90","","113.342","","90","","389.453","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Groat, L. A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H. G.; Meyer, H.; Nistor, L.; Van Tendeloo, G.","A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5","American Mineralogist","1996","81","","595","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001794","6.8912","","8.6234","","6.4065","","90","","113.057","","90","","350.297","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Xirouchakis, D.; Lindsley, D. H.; Hausermann, D.","High-pressure phase transition in titanite (CaTiOSiO4) Sample: at 6.95 GPa Note: this is a not titanite but instead is a high-pressure polymorph of Ca, transfomred by pressure acting on titanite","American Mineralogist","1996","81","","1527","1530","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001842","7.0425","","8.7155","","6.5376","","90","","113.629","","90","","367.628","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: natural","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001843","7.0348","","8.7119","","6.5498","","90","","113.712","","90","","367.526","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: La-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001844","7.028","","8.7025","","6.5434","","90","","113.681","","90","","366.502","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001969","7.0469","","8.6901","","6.5372","","90","","113.944","","90","","365.876","","","","","","","","","","annealing behaviour of radiation damaged titanite Sample is heated Cardiff titanite, 1123 K for 3 days","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.26 Ca O5 Si Ti0.74 -","- Al0.26 Ca O5 Si Ti0.74 -","- Al1.04 Ca4 O20 Si4 Ti2.96 -","4","0.5","","Chrosch, J.; Colombo, M.; Malcherek, T.; Salje, E. K. H.; Groat, L. A.; Bismayer, U.","Thermal annealing behaviour of radiation damaged titanite Sample is heated Cardiff titanite, 1123 K for 3 days","American Mineralogist","1998","83","","1083","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002205","6.9149","","8.5064","","6.4384","","90","","114.684","","90","","344.108","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al Ca F O4 Si -","- Al Ca F O4 Si -","- Al4 Ca4 F4 O16 Si4 -","4","0.5","","Troitzsch, U.; Ellis, D. J.","The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite","American Mineralogist","1999","84","","1162","1169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002441","7.0246","","8.7037","","6.5329","","90","","113.619","","90","","365.962","","","","627","","","","1700000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #007 at P = 1.70 GPa, T = 627 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002444","7.0169","","8.6981","","6.5264","","90","","113.603","","90","","365.007","","","","581","","","","1840000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #010 at P = 1.84 GPa, T = 581 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002445","7.0158","","8.6986","","6.5257","","90","","113.592","","90","","364.962","","","","560","","","","1880000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #011 at P = 1.88 GPa, T = 560 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002446","6.9915","","8.6881","","6.5068","","90","","113.492","","90","","362.482","","","","666","","","","2870000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #012 at P = 2.87 GPa, T = 666 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002447","6.9754","","8.6723","","6.4885","","90","","113.443","","90","","360.108","","","","538","","","","3250000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #013 at P = 3.25 GPa, T = 538 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002448","6.9749","","8.6726","","6.4885","","90","","113.466","","90","","360.032","","","","490","","","","3190000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #014 at P = 3.19 GPa, T = 490 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002449","6.9736","","8.6716","","6.4889","","90","","113.487","","90","","359.889","","","","448","","","","3130000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #015 at P = 3.13 GPa, T = 448 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002450","6.9786","","8.6726","","6.491","","90","","113.491","","90","","360.294","","","","371","","","","2880000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #016 at P = 2.88 GPa, T = 371 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002452","6.9737","","8.676","","6.4902","","90","","113.434","","90","","360.293","","","","658","","","","3560000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #018 at P = 3.56 GPa, T = 658 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002453","6.9656","","8.6709","","6.4816","","90","","113.399","","90","","359.281","","","","659","","","","3970000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #019 at P = 3.97 GPa, T = 659 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002454","6.956","","8.6644","","6.4713","","90","","113.358","","90","","358.058","","","","618","","","","4290000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #020 at P = 4.29 GPa, T = 618 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002455","6.9529","","8.661","","6.4677","","90","","113.347","","90","","357.589","","","","568","","","","4260000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #021 at P = 4.26 GPa, T = 568 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002456","6.954","","8.6603","","6.4674","","90","","113.348","","90","","357.597","","","","525","","","","4110000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #022 at P = 4.11 GPa, T = 525 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002457","6.9527","","8.6576","","6.4666","","90","","113.349","","90","","357.372","","","","483","","","","4100000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #023 at P = 4.10 GPa, T = 483 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002458","6.9543","","8.6586","","6.4707","","90","","113.38","","90","","357.639","","","","399","","","","3860000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #024 at P = 3.86 GPa, T = 399 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002459","6.9559","","8.6586","","6.4672","","90","","113.376","","90","","357.538","","","","301","","","","3630000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #025 at P = 3.63 GPa, T = 301 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002460","6.9496","","8.6605","","6.4654","","90","","113.342","","90","","357.285","","","","658","","","","4670000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #026 at P = 4.67 GPa, T = 658 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002461","6.9413","","8.6549","","6.457","","90","","113.317","","90","","356.231","","","","609","","","","4930000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #027 at P = 4.93 GPa, T = 609 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002462","6.941","","8.6539","","6.4559","","90","","113.333","","90","","356.071","","","","568","","","","4880000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #028 at P = 4.88 GPa, T = 568 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002463","6.9409","","8.6532","","6.4551","","90","","113.331","","90","","355.998","","","","522","","","","4800000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #029 at P = 4.80 GPa, T = 522 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002464","6.9395","","8.6529","","6.455","","90","","113.338","","90","","355.89","","","","469","","","","4750000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #030 at P = 4.75 GPa, T = 469 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002465","6.9385","","8.6498","","6.4533","","90","","113.348","","90","","355.591","","","","396","","","","4610000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #031 at P = 4.61 GPa, T = 396 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002466","6.9399","","8.6524","","6.4547","","90","","113.352","","90","","355.836","","","","338","","","","4450000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #032 at P = 4.45 GPa, T = 338 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002467","6.9414","","8.6521","","6.4553","","90","","113.357","","90","","355.92","","","","301","","","","4360000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #033 at P = 4.36 GPa, T = 301 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002468","6.9443","","8.6582","","6.4621","","90","","113.327","","90","","356.776","","","","656","","","","4890000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #034 at P = 4.89 GPa, T = 656 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002469","6.9534","","8.6641","","6.473","","90","","113.361","","90","","357.998","","","","660","","","","4340000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #035 at P = 4.34 GPa, T = 660 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002470","6.9664","","8.6728","","6.4846","","90","","113.4","","90","","359.565","","","","662","","","","3790000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #036 at P = 3.79 GPa, T = 662 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002471","6.9915","","8.6881","","6.5068","","90","","113.492","","90","","362.482","","","","666","","","","2870000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #037 at P = 2.87 GPa, T = 666 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002472","6.9926","","8.6872","","6.5068","","90","","113.494","","90","","362.496","","","","619","","","","2740000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #038 at P = 2.74 GPa, T = 619 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002473","6.9915","","8.6849","","6.5051","","90","","113.497","","90","","362.24","","","","576","","","","2650000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #039 at P = 2.65 GPa, T = 576 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002474","6.9929","","8.685","","6.5059","","90","","113.508","","90","","362.331","","","","523","","","","2510000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #040 at P = 2.51 GPa, T = 523 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002475","6.995","","8.6858","","6.5068","","90","","113.516","","90","","362.502","","","","481","","","","2390000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Kunz, M.; Arlt, T.; Stolz, J.","In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #041 at P = 2.39 GPa, T = 481 K","American Mineralogist","2000","85","","1465","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9002892","7.1523","","8.8902","","6.6677","","90","","113.362","","90","","389.21","","","","","","","","0","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Rath, S.; Kunz, M.; Miletich, R.","Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 0.0 GPa","American Mineralogist","2003","88","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002893","7.056","","8.8436","","6.5629","","90","","112.948","","90","","377.117","","","","","","","","4238000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Rath, S.; Kunz, M.; Miletich, R.","Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.238 GPa","American Mineralogist","2003","88","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9002894","7.0498","","8.8402","","6.5573","","90","","112.925","","90","","376.384","","","","","","","","4505000","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Rath, S.; Kunz, M.; Miletich, R.","Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.505 GPa","American Mineralogist","2003","88","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003665","7.1749","","8.93321","","6.67312","","90","","113.6","","90","","391.94","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- Ca Ge O5 Ti0.807 Zr0.192 -","- Ca Ge O5 Ti0.807 Zr0.192 -","- Ca4 Ge4 O20 Ti3.228 Zr0.768 -","4","0.5","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti80, hi-T titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003666","7.25821","","9.01791","","6.722","","90","","113.351","","90","","403.944","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- Ca Ge O5 Ti0.507 Zr0.492 -","- Ca Ge O5 Ti0.507 Zr0.492 -","- Ca4 Ge4 O20 Ti2.028 Zr1.968 -","4","0.5","","Ellemann-Olesen R; Malcherek, T.","Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti50, hi-T titanite structure","American Mineralogist","2005","90","","687","694","10.2138/am.2005.1767","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004920","7.1136","","8.7724","","6.5987","","90","","113.581","","90","","377.395","","","","","","","","","","","","Khibina, Russia","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.76 Zr0.24 -","- Ca O5 Si Ti0.76 Zr0.24 -","- Ca4 O20 Si4 Ti3.04 Zr0.96 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues","The Canadian Mineralogist","2005","43","","795","812","10.2113/gscanmin.43.2.795","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004921","7.1276","","8.7541","","6.6031","","90","","113.847","","90","","376.832","","","","","","","","","","","","Khibina, Russia","7","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 -","- Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 -","- Ca3.4 Na0.56 Nb0.6 O20 Si4 Ti2.8 Zr0.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues","The Canadian Mineralogist","2005","43","","795","812","10.2113/gscanmin.43.2.795","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005081","7.049","","8.653","","6.527","","90","","114.12","","90","","363.356","","","","","","","","","","","","Liset, Norway","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 -","- Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 -","- Al1.128 Ca3.984 Fe0.044 O20 Si3.968 Ti2.856 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: D167 Note: y-coord of Ca altered to reproduce published bond lengths","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005082","7.045","","8.647","","6.522","","90","","114.21","","90","","362.364","","","","","","","","","","","","Liset, Norway","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 -","- Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 -","- Al1.288 Ca3.936 Fe0.056 O20 Si4 Ti2.644 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: K52","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005083","7.043","","8.637","","6.514","","90","","114.25","","90","","361.285","","","","","","","","","","","","Broken Hill, Australia","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 -","- Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 -","- Al1.396 Ca3.944 Fe0.092 O20 Si4 Ti2.42 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: TK22","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005084","7.038","","8.635","","6.514","","90","","114.24","","90","","360.973","","","","","","","","","","","","Sierra de los Filabres, Spain","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 -","- Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 -","- Al1.452 Ca4 Fe0.052 O20 Si3.952 Ti2.544 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: HEL697","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005414","7.0541","","8.6925","","6.5445","","90","","113.903","","90","","366.876","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.099 Ca F0.099 O4.901 Si Ti0.901 -","- Al0.099 Ca F0.099 O4.901 Si Ti0.901 -","- Al0.396 Ca4 F0.396 O19.604 Si4 Ti3.604 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF09","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005415","7.0511","","8.6722","","6.5325","","90","","114.026","","90","","364.845","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.182 Ca F0.182 O4.818 Si Ti0.818 -","- Al0.182 Ca F0.182 O4.818 Si Ti0.818 -","- Al0.728 Ca4 F0.728 O19.272 Si4 Ti3.272 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF18","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005416","7.0462","","8.6529","","6.5231","","90","","114.143","","90","","362.925","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.291 Ca F0.291 O4.709 Si Ti0.709 -","- Al0.291 Ca F0.291 O4.709 Si Ti0.709 -","- Al1.164 Ca4 F1.164 O18.836 Si4 Ti2.836 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF29","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005417","7.0368","","8.636","","6.5135","","90","","114.232","","90","","360.948","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.372 Ca F0.372 O4.628 Si Ti0.628 -","- Al0.372 Ca F0.372 O4.628 Si Ti0.628 -","- Al1.488 Ca4 F1.488 O18.512 Si4 Ti2.512 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF37","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005418","7.0229","","8.613","","6.5023","","90","","114.344","","90","","358.342","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.489 Ca F0.489 O4.511 Si Ti0.511 -","- Al0.489 Ca F0.489 O4.511 Si Ti0.511 -","- Al1.956 Ca4 F1.956 O18.044 Si4 Ti2.044 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF49","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005419","6.9904","","8.5759","","6.4798","","90","","114.48","","90","","353.537","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.672 Ca F0.672 O4.328 Si Ti0.328 -","- Al0.672 Ca F0.672 O4.328 Si Ti0.328 -","- Al2.688 Ca4 F2.688 O17.312 Si4 Ti1.312 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF67","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005420","6.958","","8.5445","","6.4612","","90","","114.585","","90","","349.312","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.819 Ca F0.819 O4.181 Si Ti0.181 -","- Al0.819 Ca F0.819 O4.181 Si Ti0.181 -","- Al3.276 Ca4 F3.276 O16.724 Si4 Ti0.724 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF82","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005421","6.9157","","8.5076","","6.4391","","90","","114.683","","90","","344.236","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al Ca F O4 Si -","- Al Ca F O4 Si -","- Al4 Ca4 F4 O16 Si4 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF100","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005927","7.0719","","8.7464","","6.5783","","90","","113.751","","90","","372.43","","","","500","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 500 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005928","7.073","","8.7508","","6.5824","","90","","113.729","","90","","372.971","","","","600","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 600 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005929","7.0726","","8.7558","","6.5859","","90","","113.699","","90","","373.447","","","","700","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 700 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006651","7.156","","8.875","","6.66","","90","","113.38","","90","","388.244","","","","300","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.","An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 300 K","Physics and Chemistry of Minerals","1999","26","","546","553","10.1007/s002690050218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006652","7.16","","8.897","","6.672","","90","","113.34","","90","","390.244","","","","450","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.","An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 450 K","Physics and Chemistry of Minerals","1999","26","","546","553","10.1007/s002690050218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006653","7.166","","8.903","","6.678","","90","","113.39","","90","","391.038","","","","550","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.","An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 550 K Note: U33 for O1 has been altered by personal communication with authors, Dec 2003","Physics and Chemistry of Minerals","1999","26","","546","553","10.1007/s002690050218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006654","7.173","","8.901","","6.683","","90","","113.36","","90","","391.714","","","","670","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.","An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 670 K","Physics and Chemistry of Minerals","1999","26","","546","553","10.1007/s002690050218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006655","7.167","","8.912","","6.688","","90","","113.36","","90","","392.163","","","","730","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Malayaite","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.","An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 730 K Note: x-coordinate of O1 altered from the value reported","Physics and Chemistry of Minerals","1999","26","","546","553","10.1007/s002690050218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007340","7.0788","","8.7378","","6.5754","","90","","113.709","","90","","372.383","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.9 Zr0.1 -","- Ca O5 Si Ti0.9 Zr0.1 -","- Ca4 O20 Si4 Ti3.6 Zr0.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007341","7.0992","","8.758","","6.5894","","90","","113.635","","90","","375.329","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.81 Zr0.19 -","- Ca O5 Si Ti0.81 Zr0.19 -","- Ca4 O20 Si4 Ti3.24 Zr0.76 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007342","7.1252","","8.7826","","6.6057","","90","","113.553","","90","","378.933","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.71 Zr0.29 -","- Ca O5 Si Ti0.71 Zr0.29 -","- Ca4 O20 Si4 Ti2.84 Zr1.16 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007343","7.1481","","8.8011","","6.6171","","90","","113.477","","90","","381.829","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.62 Zr0.38 -","- Ca O5 Si Ti0.62 Zr0.38 -","- Ca4 O20 Si4 Ti2.48 Zr1.52 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007344","7.1824","","8.8281","","6.6337","","90","","113.369","","90","","386.119","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti0.51 Zr0.49 -","- Ca O5 Si Ti0.51 Zr0.49 -","- Ca4 O20 Si4 Ti2.04 Zr1.96 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5","Physics and Chemistry of Minerals","2005","32","","40","51","10.1007/s00269-004-0441-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007414","7.0826","","8.7156","","6.5767","","90","","113.911","","90","","371.132","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 -","- Ca3.6 Na0.4 O20 Si4 Ta0.4 Ti3.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007415","7.1122","","8.7166","","6.5962","","90","","114.078","","90","","373.346","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 -","- Ca3.2 Na0.8 O20 Si4 Ta0.8 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007416","7.0547","","8.7121","","6.5629","","90","","113.75","","90","","369.204","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.1 Ca O5 Si Ta0.1 Ti0.8 -","- Al0.4 Ca4 O20 Si4 Ta0.4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007417","7.061","","8.7162","","6.5697","","90","","113.742","","90","","370.113","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.2 Ca O5 Si Ta0.2 Ti0.6 -","- Al0.8 Ca4 O20 Si4 Ta0.8 Ti2.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007418","7.0699","","8.722","","6.5776","","90","","113.744","","90","","371.266","","","","","","","","","","","","Synthetic","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al0.3 Ca O5 Si Ta0.3 Ti0.4 -","- Al1.2 Ca4 O20 Si4 Ta1.2 Ti1.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3","Physics and Chemistry of Minerals","2006","33","","73","83","10.1007/s00269-006-0069-y","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008071","30.25","","4","","21.48","","90","","104.2","","90","","2519.67","","","","","","","","","","","","Guerrido, Mexico","3","A 1 2/a 1","-A 2ya","15","","","Livingstonite","- Hg S8 Sb4 -","- Hg S8 Sb4 -","- Hg8 S64 Sb32 -","8","1","","Niizeki, N.; Buerger, M. J.","The crystal structure of livingstonite, HgSb4S8","Zeitschrift fur Kristallographie","1957","109","","129","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008247","30.567","","4.015","","21.465","","90","","103.39","","90","","2562.71","","","","","","","","","","","","Huitzuco, Guerrero, Mexico","3","A 1 2/a 1","-A 2ya","15","","","Livingstonite","- Hg S8 Sb4 -","- Hg S8 Sb4 -","- Hg8 S64 Sb32 -","8","1","","Srikrishnan, T.; Nowacki, W.","A redetermination of the crystal structure of livingstonite, HgSb4S8","Zeitschrift fur Kristallographie","1975","141","","174","192","10.1524/zkri.1975.141.3-4.174","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008437","17.032","","7.363","","14.023","","90","","90.36","","90","","1758.54","","","","","","","","","","","","model structure, not experimentally determined","3","A 1 2/a 1","-A 2ya","15","","","Xonotlite","- Ca6 O19 Si6 -","- Ca6 O19 Si6 -","- Ca24 O76 Si24 -","4","0.5","","Hejny, C.; Armbruster, T.","Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)","Zeitschrift fur Kristallographie","2001","216","","396","408","10.1524/zkri.216.7.396.20363","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009231","22.286","","16.386","","24.575","","90","","94.355","","90","","8948.35","","","","","","","","","","","","Broken Hill, Australia","10","A 1 2/a 1","-A 2ya","15","","","Bannisterite","- Al2.364 Ca Fe9.14 H58 K0.567 Mg0.28 Mn11.06 O104.33 Si29.636 Zn0.14 -","- Al2.364 Ca Fe9.14 H40.66 K0.567 Mg0.28 Mn11.06 O104.33 Si29.636 Zn0.14 -","- Al9.456 Ca4 Fe36.56 H162.64 K2.268 Mg1.12 Mn44.24 O417.32 Si118.544 Zn0.56 -","4","0.5","","Heaney, P. J.; Post, J. E.; Evans, H. T.","The crystal structure of bannisterite","Clays and Clay Minerals","1992","40","","129","144","10.1346/CCMN.1992.0400201","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009232","22.265","","16.368","","24.668","","90","","94.285","","90","","8964.72","","","","","","","","","","","","Franklin Furnace, New Jersey, USA","10","A 1 2/a 1","-A 2ya","15","","","Bannisterite","- Al2.352 Ca Fe2.9 H58 K0.76 Mg2.86 Mn12.44 O103.69 Si29.648 Zn2.02 -","- Al2.352 Ca Fe2.9 H39.38 K0.76 Mg2.86 Mn12.44 O103.69 Si29.648 Zn2.02 -","- Al9.408 Ca4 Fe11.6 H157.52 K3.04 Mg11.44 Mn49.76 O414.76 Si118.592 Zn8.08 -","4","0.5","","Heaney, P. J.; Post, J. E.; Evans, H. T.","The crystal structure of bannisterite","Clays and Clay Minerals","1992","40","","129","144","10.1346/CCMN.1992.0400201","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009932","17.23","","7.78","","15.19","","90","","101.2","","90","","1997.43","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","3","A 1 2/a 1","-A 2ya","15","","","Smithite","- Ag As S2 -","- Ag As S2 -","- Ag24 As24 S48 -","24","3","","Hellner, E.; Burzlaff, H.","Die struktur des smithits AgAsS2","Naturwissenschaften","1964","51","","35","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010577","7.0815","","8.7175","","6.575","","90","","113.853","","90","","371.225","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.9 Na0.1 Nb0.1 O5 Si Ti0.9 -","- Ca0.9 Na0.1 Nb0.1 O5 Si Ti0.9 -","- Ca3.6 Na0.4 Nb0.4 O20 Si4 Ti3.6 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: NaNb1","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010578","7.0952","","8.7172","","6.5824","","90","","113.982","","90","","371.978","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca0.8 Na0.2 Nb0.2 O5 Si Ti0.8 -","- Ca0.8 Na0.2 Nb0.2 O5 Si Ti0.8 -","- Ca3.2 Na0.8 Nb0.8 O20 Si4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: NaNb2","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010579","7.0571","","8.7169","","6.563","","90","","113.756","","90","","369.521","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.1 Ca Nb0.1 O5 Si Ti0.8 -","- Al0.1 Ca Nb0.1 O5 Si Ti0.8 -","- Al0.4 Ca4 Nb0.4 O20 Si4 Ti3.2 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: AlNb1","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010580","7.0594","","8.7188","","6.5651","","90","","113.747","","90","","369.866","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.2 Ca Nb0.2 O5 Si Ti0.6 -","- Al0.2 Ca Nb0.2 O5 Si Ti0.6 -","- Al0.8 Ca4 Nb0.8 O20 Si4 Ti2.4 -","4","0.5","","Liferovich, R. P.; Mitchell, R. H.","Solid solutions of niobium in synthetic titanite Sample: AlNb2","The Canadian Mineralogist","2006","44","","1089","1097","10.2113/gscanmin.44.5.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011072","9.415","","17.006","","9.382","","90","","90.03","","90","","1502.17","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Kafehydrocyanite (deuterated)","- C6 D6 Fe K4 N6 O3 -","- C6 D6 Fe K4 N6 O3 -","- C24 D24 Fe4 K16 N24 O12 -","4","0.5","","Taylor, J. C.; Mueller, M. H.; Hitterman, R. L.","A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the Curie temperature Locality: synthetic","Acta Crystallographica, Section A","1970","26","","559","567","10.1107/S0567739470001407","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011224","16.408","","5.54","","15.15","","90","","95.48","","90","","1370.85","","","","","","","","","","","","Franklin, New Jersey","6","A 1 2/a 1","-A 2ya","15","","","Loseyite","- C2 H10 Mg0.773 Mn3.684 O16 Zn2.543 -","- C2 H10 Mg0.773 Mn3.684 O16 Zn2.543 -","- C8 H40 Mg3.092 Mn14.736 O64 Zn10.172 -","4","0.5","","Hill, R. J.","The structure of loseyite Note: AnisoU's from ICSD","Acta Crystallographica, Section B","1981","37","","1323","1328","10.1107/S0567740881005840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012507","10.048","","19.418","","9.735","","90","","95.83","","90","","1889.59","","","","","","","","","","","","Langban, Sweden","6","A 1 2/a 1","-A 2ya","15","","","Parwelite","- As Mg0.92 Mn4.08 O12 Sb Si -","- As Mg0.92 Mn4.08 O12 Sb Si -","- As8 Mg7.36 Mn32.64 O96 Sb8 Si8 -","8","1","","Marsh, R. E.; Schomaker, V.","Some incorrect space groups in Inorganic Chemistry, Volume 16","Inorganic Chemistry","1979","18","","2331","2336","10.1021/ic50198a064","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014872","5.533","","13.565","","25.09","","90","","94","","90","","1878.55","","","","","","","","","","","","Harstig mine, Pajsberg, Sweden","5","A 1 2/a 1","-A 2ya","15","","","Ganophyllite","- H K0.27 Mn2 O9.47 Si3.36 -","- K2.16 Mn16 O75.76 Si26.88 -","- K2.16 Mn16 O75.76 Si26.88 -","","","","Eggleton, R. A.; Guggenheim, S.","A re-examination of the structure of ganophyllite","Mineralogical Magazine","1986","50","","307","315","10.1180/minmag.1986.050.356.18","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016514","5.219","","8.691","","25.01","","90","","104.43","","90","","1098.62","","","","","","","","","","","","Kola peninsula, Russia","5","A 1 2/a 1","-A 2ya","15","","","Vinogradovite","- H1.68 Na O7.34 Si2 Ti -","- H1.68 Na O7.34 Si2 Ti -","- H13.44 Na8 O58.72 Si16 Ti8 -","8","1","","Rastsvetaeva, R. K.; Andrianov, V. I.","Refined crystal structure of vinogradovite","Soviet Physics Crystallography","1984","29","","403","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017827","5.35","","8.56","","24.22","","90","","101","","90","","1088.8","","","","","","","","","","","","Kolsk peninsula, Russia","4","A 1 2/a 1","-A 2ya","15","","","Vinogradovite","- Na2 O13 Si4 Ti2 -","- Na8 O52 Si16 Ti8 -","- Na8 O52 Si16 Ti8 -","","","","Rastsvetaeva, R. K.; Simonov, V. I.; Belov, N. V.","Crystal structure of vinogradovite Na4Ti4[Si2O6]2[Si4O10]O4*nH2O","Soviet Physics Doklady","1968","12","","1090","1092","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""
"9017849","30.1543","","3.9953","","21.4262","","90","","104.265","","90","","2501.74","","","","","","","","","","","","Khaydarkan, Kyrgyzstan","3","A 1 2/a 1","-A 2ya","15","","","Livingstonite","- Hg S8 Sb4 -","- Hg8 S64 Sb32 -","- Hg8 S64 Sb32 -","","","","Borisov, S. V.; Perukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Vasil'ev, V. I.","Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data","Crystallography Reports","2010","55","","224","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""