# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:45:07+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4 b m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000339","8.7404","0.0008","8.7404","0.0008","8.136","0.001","90","","90","","90","","621.5","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Dipotassium bis(oxoniobium) cyclo-tetrasilicate","","- K2 Nb2 O14 Si4 -","- K2 Nb2 O14 Si4 -","- K4 Nb4 O28 Si8 -","2","0.25","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y; Tournoux, M","The potassium niobyl cyclotetrasilicate K~2~(NbO)~2~Si~4~O~12~","Journal of Solid State Chemistry","1992","98","","128","132","10.1016/0022-4596(92)90077-9","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001731","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.3","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Diammonium oxovanadium(IV) vanadophosphate(V)","","- H8 N2 O8 P V2 -","- H10 N2 O8 P1.02 V1.98 -","- H20 N4 O16 P2.04 V3.96 -","2","0.25","","Boudin, S; Grandin, A; Labbe, P; Raveau, B","(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups","Acta Crystallographica C (39,1983-)","1996","52","","2668","2670","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007234","8.52","","8.52","","5.21","","90","","90","","90","","378.2","","","","","","","","","","","","synthetic at 1350 C","4","P 4 b m","P 4 -2ab","100","","Barium titanium silicate","Fresnoite","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Masse, R; Grenier, J C; Durif, A","Structure cristalline de la fresnoite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","20","23","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010621","6.3","","6.3","","6.3","","90","","90","","90","","250","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ammonium chlorate(III)","","- Cl H4 N O2 -","- Cl H8 N O -","- Cl2 H16 N2 O2 -","2","0.25","","Levi, G R; Scherillo, A","Ricerche cristallografiche sui sali dell acido cloroso","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","431","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511387","5.5244","","5.5244","","7.4416","","90","","90","","90","","227.11","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Nd Ba Cu O2.06 (B O3)0.94","","- B0.94 Ba Cu Nd O4.88 -","- B0.94 Ba Cu Nd O4.88 -","- B1.88 Ba2 Cu2 Nd2 O9.76 -","2","0.25","","Reading, J.; Weller, M.T.","Powder neutron diffraction structural analysis of the lanthanide barium copper oxyborates, Ln Ba Cu O2 B O3 (Ln = La, Pr and Nd)","Physica C (Amsterdam)","1999","328","","31","36","10.1016/S0921-4534(99)00521-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511405","5.537","","5.537","","7.4593","","90","","90","","90","","228.69","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Pr Ba Cu O2.047 (B O3)0.953","","- B0.953 Ba Cu O4.906 Pr -","- B0.953 Ba Cu O4.906 Pr -","- B1.906 Ba2 Cu2 O9.812 Pr2 -","2","0.25","","Weller, M.T.; Reading, J.","Powder neutron diffraction structural analysis of the lanthanide barium copper oxyborates, Ln Ba Cu O2 B O3 (Ln = La, Pr and Nd)","Physica C (Amsterdam)","1999","328","","31","36","10.1016/S0921-4534(99)00521-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520953","12.445","","12.445","","3.935","","90","","90","","90","","609.445","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Sr0.744 Ba0.247 (Nb2 O6)","","- Ba0.247 Nb2 O6 Sr0.744 -","- Ba0.2472 Nb2 O6 Sr0.7436 -","- Ba1.236 Nb10 O30 Sr3.718 -","5","0.625","","Chernaya, T.S.; Maksimov, B.A.; Volk, T.R.; Ivleva, L.I.; Simonov, V.I.","Atomic structure of Sr0.75 Ba0.25 Nb2 O6 single crystal and composition-structure-property relation in (Sr, Ba) Nb2 O6 solid solutions","Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)","2000","42","","1668","1772","","","","","","","","","","","","","","","","","","","","","","has coordinates","140538","2020-10-21","18:00:00",""
"1521825","5.5748","","5.5748","","7.5127","","90","","90","","90","","233.483","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","La Ba Cu O2.25 (B O3)0.75","","- B0.75 Ba Cu La O4.5 -","- B0.75 Ba Cu La O4.5 -","- B1.5 Ba2 Cu2 La2 O9 -","2","0.25","","Reading, J.; Weller, M.T.","Powder neutron diffraction structural analysis of the lanthanide barium copper oxyborates, Ln Ba Cu O2 B O3 (Ln = La, Pr and Nd)","Physica C (Amsterdam)","1999","328","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522137","12.457","","12.457","","3.942","","90","","90","","90","","611.707","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Ba3.75 (Y0.833 Sm0.833)0.5 Nb10 O30","","- Ba3.75 Nb10 O30 Sm0.4165 Y0.4165 -","- Ba3.75 Nb10 O30 Sm0.4166 Y0.4166 -","- Ba3.75 Nb10 O30 Sm0.4166 Y0.4166 -","1","0.125","","Wang, J.-K.; Mizutani, N.; Wakiya, N.; Shinozaki, K.","Structural and ferroelectric properties of (1-X)(Ba~3.75~Y~0.83~Nb~10~O~30~) - X(Ba~3.75~Sm~0.83~Nb~10~O~30~) solid solutions","Journal of the Ceramic Society of Japan","2000","108","1253","36","39","10.2109/jcersj.108.36","","","","","","","","","","","","","","","","","","","","","has coordinates","175216","2020-10-21","18:00:00",""
"1526958","8.904","","8.904","","5.573","","90","","90","","90","","441.834","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","(H3 O)2 V3 O8","","- H6 O10 V3 -","- O10 V3 -","- O20 V6 -","2","0.25","","Wu, C.-D.; Lin, X.; Yang, W.-B.; Lu, C.-Z.; Zhuang, H.-H.","A novel Mo-doped compound with graphite-like structure: (H3 O)2 V3 O8","Jiegon Huaxue","2001","20","","462","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","148245","2020-10-21","18:00:00",""
"1530009","8.277","","8.277","","5.42","","90","","90","","90","","371.317","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","K2 V O P2 O7","","- K2 O8 P2 V -","- K2 O8 P2 V -","- K4 O16 P4 V2 -","2","0.25","","Gorbunova, Yu.E.; Linde, S.A.; Lavrov, A.V.; Tananaev, I.V.","Structure of crystals of potassium vanadyl pyrophosphate K2 V O P2 O7","Doklady Akademii Nauk SSSR","1980","250","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530353","8.527","","8.527","","5.2104","","90","","90","","90","","378.847","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba2 Ti Si2 O8","","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Markgraf, S.A.; Halliyal, A.; Bhalla, A.S.; Newnham, R.E.; Prewitt, C.T.","X-Ray Structure Refinement and Pyroelectric Investigation of Fresnoite, Ba2 Ti Si2 O8","Ferroelectrics","1985","62","","17","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530679","12.608","","12.608","","4.012","","90","","90","","90","","637.754","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Nb7.6 U2.4 Ba5.2 K.8 O30","","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","- Ba5.2 K0.8 Nb7.6 O30 U2.4 -","1","0.125","","Saine, M.C.","Synthese et structure d'un bronze oxygene quadratique contenant de l'uranium a la valence six","Journal of the Less-Common Metals","1988","139","","315","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","155818","2020-10-21","18:00:00",""
"1530869","8.891","","8.891","","5.582","","90","","90","","90","","441.256","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","(N H4)2 V3 O8","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Theobald, F.R.; Theobald, J.G.; Vedrine, J.C.; Clad, R.; Renard, J.","Crystal Growth, Structure, Electron Paramagnetic Resonance and Magnetic Properties of (N H4)2 V3 O8","Journal of Physics and Chemistry of Solids","1984","45","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","156098","2020-10-21","18:00:00",""
"1531340","12.4577","","12.4577","","3.94036","","90","","90","","90","","611.521","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Sr2 K Nb5 O15","","- K Nb5 O15 Sr2 -","- K Nb5 O15 Sr2 -","- K2 Nb10 O30 Sr4 -","2","0.25","","El Belghiti, A.A.; Elaatmani, M.; Gravereau, P.; Simon, A.; Villesuzanne, A.; Ravez, J.","Ferroelectric and crystallographic properties of the Sr2-x K1+x Nb5 O15-x Fx solid solution","Solid State Sciences","2002","4","","933","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531378","12.4515","","12.4515","","3.9673","","90","","90","","90","","615.09","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ca0.25 Ba0.75 Nb2 O6","","- Ba0.75 Ca0.25 Nb2 O6 -","- Ba0.762 Ca0.252 Nb2 O6 -","- Ba3.81 Ca1.26 Nb10 O30 -","5","0.625","","Esser, M.; Burianek, M.; Muehlberg, M.; Bulut, S.; Held, P.; Stade, J.; Wickleder, C.","Optical characterization and crystal structure of the novel bronze type Cax Ba1-x Nb2 O6 (x = 0.28; CBN-28)","Crystal Research and Technology","2003","38","","457","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","156834","2020-10-21","18:00:00",""
"1532154","12.558","","12.558","","3.9708","","90","","90","","90","","626.209","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba5.75 Al0.75 Nb9.25 O30","","- Al0.75 Ba5.75 Nb9.25 O30 -","- Al0.75 Ba5.748 Nb9.25 O30 -","- Al0.75 Ba5.748 Nb9.25 O30 -","1","0.125","","Vanderah, T.A.; Roth, R.S.; Collins, T.R.; Farber, L.; Wong-Ng, W.","Phase equilibria and crystal chemistry in the (Ba O) - (Al2 O3) - (Nb2 O5) and (Ba O) - (Nb2 O5) systems","Journal of Alloys Compd.","2002","346","","116","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","157809","2020-10-21","18:00:00",""
"1532157","12.481","","12.481","","3.9711","","90","","90","","90","","618.6","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- Ba3.3 Nb10 O28.3 -","- Ba3.3 Nb10 O28.29 -","- Ba3.3 Nb10 O28.29 -","1","0.125","","Vanderah, T.A.; Roth, R.S.; Wong-Ng, W.; Collins, T.R.; Farber, L.","Phase equilibria and crystal chemistry in the (Ba O) - (Al2 O3) - (Nb2 O5) and (Ba O) - (Nb2 O5) systems","Journal of Alloys Compd.","2002","346","","116","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532915","5.5154","","5.5154","","3.8999","","90","","90","","90","","118.634","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi K0.2 Na0.8 O6 Ti2 -","2","0.25","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534359","12.454","","12.454","","3.932","","90","","90","","90","","609.862","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","(Sr0.6 Ba0.39 Ce0.01) (Nb2 O6)","","- Ba0.39 Ce0.01 Nb2 O6 Sr0.6 -","- Ba0.3888 Ce0.0112 Nb2 O6 Sr0.5972 -","- Ba1.944 Ce0.056 Nb10 O30 Sr2.986 -","5","0.625","","Chernaya, T.S.; Volk, T.R.; Verin, I.A.; Blomberg, M.K.; Ivleva, L.I.; Maksimov, B.A.; Simonov, V.I.","X-ray diffraction study of cerium- and thulium-doped (Sr, Ba) Nb2 O6 single crystals","Kristallografiya","2003","48","","1000","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","161016","2020-10-21","18:00:00",""
"1534360","12.458","","12.458","","3.935","","90","","90","","90","","610.719","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","(Sr0.6 Ba0.39 Tm0.01) (Nb2 O6)","","- Ba0.39 Nb2 O6 Sr0.6 Tm0.01 -","- Ba0.388 Nb2 O6 Sr0.5976 Tm0.014 -","- Ba1.94 Nb10 O30 Sr2.988 Tm0.07 -","5","0.625","","Chernaya, T.S.; Volk, T.R.; Blomberg, M.K.; Maksimov, B.A.; Ivleva, L.I.; Verin, I.A.; Simonov, V.I.","X-ray diffraction study of cerium- and thulium-doped (Sr, Ba) Nb2 O6 single crystals","Kristallografiya","2003","48","","1000","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","161017","2020-10-21","18:00:00",""
"1534595","10.142","","10.142","","4.844","","90","","90","","90","","498.255","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","Ce3 (Si6 N11)","","- Ce3 N11 Si6 -","- Ce3 N11 Si6 -","- Ce6 N22 Si12 -","2","0.25","","Schlieper, T.; Schnick, W.","Nitrodisilicate. III : Hochtemperatur-Synthese, Kristallstruktur und magnetische Eigenschaften von Ce3 (Si6 N11)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1535","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","161451","2020-10-21","18:00:00",""
"1544729","8.77","0.001","8.77","0.001","5.433","0.001","90","","90","","90","","417.87","0.1","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","Ba2Ti(Ge0.25Si0.75)2O8","","Ba2Ti(Ge0.25Si0.75)2O8 at 890 C","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba2 Ge2 O8 Ti -","- Ba4 Ge4 O16 Ti2 -","2","0.25","","Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T.","Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8 :Sample at 890 C","Mineralogical Journal","1982","11","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","188890","2020-10-21","18:00:00",""
"1544730","8.583","0.001","8.583","0.001","5.268","0.001","90","","90","","90","","388.08","0.1","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","Ba2Ti(Ge0.25Si0.75)2O8","","Ba2Ti(Ge0.25Si0.75)2O8","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba4 Ge O16 Si3 Ti2 -","2","0.25","","Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T.","Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8","Mineralogical Journal","1982","11","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","188891","2020-10-21","18:00:00",""
"1570548","17.3928","0.0006","17.3928","0.0006","6.7688","0.0003","90","","90","","90","","2047.63","0.13","100","2","100","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H72 Cl2 N7 O14 Yb -","- C28 H72 Cl2 N7 O14 Yb -","- C56 H144 Cl4 N14 O28 Yb2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0213","0.015","","","0.0328","0.0344","","","","","","1.134","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570549","17.4527","0.0009","17.4527","0.0009","6.7995","0.0004","90","","90","","90","","2071.11","0.19","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C3.11 H6.72 Cl0.22 Dy0.11 N0.78 O1.56 -","- C3.11111 H7.16667 Cl0.222222 Dy0.111111 N0.777778 O1.55556 -","- C56 H129 Cl4 Dy2 N14 O28 -","18","2.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0188","0.0169","","","0.0403","0.0414","","","","","","1.116","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570550","17.4345","0.0006","17.4345","0.0006","6.7946","0.0003","90","","90","","90","","2065.3","0.14","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H67 Cl2 N7 O14 Y -","- C28 H67 Cl2 N7 O14 Y -","- C56 H134 Cl4 N14 O28 Y2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0529","0.0459","","","0.1177","0.1221","","","","","","1.038","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570551","17.3929","0.0006","17.3929","0.0006","6.7672","0.0004","90","","90","","90","","2047.17","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C56 H122 Cl4 N14 O28 Tm2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0435","0.0255","","","0.0518","0.0561","","","","","","1.062","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570552","17.4237","0.0009","17.4237","0.0009","6.7843","0.0005","90","","90","","90","","2059.6","0.2","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H0.5 Cl2 Er N7 O14 -","- C28 H63 Cl2 Er N7 O14 -","- C56 H126 Cl4 Er2 N14 O28 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0264","0.0178","","","0.0365","0.0386","","","","","","1.098","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570553","17.4077","0.0007","17.4077","0.0007","6.773","0.0004","90","","90","","90","","2052.41","0.17","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H35.5 Cl Ho0.5 N3.5 O7 -","- C14 H33.5 Cl Ho0.5 N3.5 O7 -","- C56 H134 Cl4 Ho2 N14 O28 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0354","0.022","","","0.0458","0.049","","","","","","1.093","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570554","17.4148","0.0006","17.4148","0.0006","6.7819","0.0004","90","","90","","90","","2056.78","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C56 H138 Cl4 N14 O28 Tb2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0294","0.0195","","","0.0414","0.0439","","","","","","1.119","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"2002278","12.589","","12.589","","4.009","","90","","90","","90","","635.4","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Barium cobalt niobium oxide (6/1/9/30)","","- Ba6 Co Nb9 O30 -","- Ba6 Co Nb9 O30 -","- Ba6 Co Nb9 O30 -","1","0.125","","Lehmann, U; Mueller-Buschbaum, Hk","Ba6 Co Nb9 O30: Ein neuer Vertreter der tetragonalen Wolframbronzen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","481","","7","12","10.1002/zaac.19814811002","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002365","12.597","","12.597","","3.99","","90","","90","","90","","633.2","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Hexabarium iron(III) nonaniobium(V) oxide","","- Ba6 Fe Nb9 O30 -","- Ba6 Fe Nb9 O30 -","- Ba6 Fe Nb9 O30 -","1","0.125","","Brandt, R; Mueller-Buschbaum, Hk","Zur Kristallchemie der tetragonalen Wolframbronze Ba6 Fe Nb9 O30","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1986","117","","1239","1244","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002636","8.8581","0.0013","8.8581","0.0013","5.4711","0.0011","90","","90","","90","","429.3","","","","","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","Potassium barium copper divanadate chloride","","- Ba Cl Cu K O7 V2 -","- Ba Cl Cu K O7 V2 -","- Ba2 Cl2 Cu2 K2 O14 V4 -","2","0.25","","Martin, F D; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur eines Alkali-Erdalkali-Kupfer-Halogeno- Oxovanadats: K Ba Cu V2 O7 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","355","359","","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002857","37.088","0.012","37.088","0.012","3.95","0.0008","90","","90","","90","","5433.3","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","Strontium niobium oxide (6/34/91)","","- Nb34 O91 Sr6 -","- Nb34 O91.0014 Sr6 -","- Nb102 O273.004 Sr18 -","3","0.375","","Schueckel, K; Mueller-Buschbaum, Hk","Zur Kenntnis eines Strontiumoxoniobats mit bronzeaehnlicher Struktur: Sr6 Nb34 O91","Revue de Chimie Minerale","1986","23","","154","161","","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005612","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.28","0.08","294","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 P V2 -","- N2 O8 P2 V3 -","- N4 O16 P4 V6 -","2","0.25","","","(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups","Acta Crystallographica C","1996","52","","2668","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100719","12.484","0.0004","12.484","0.0004","3.9742","0.0003","90","","90","","90","","619.38","0.05","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.67 Nb2 O6 Sr0.33 -","- Ba0.66832 Nb2 O6 Sr0.33192 -","- Ba3.3416 Nb10 O30 Sr1.6596 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.033","0.027","","","0.0629","0.0646","","","","","","1.122","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100720","12.4844","0.0005","12.4844","0.0005","3.9572","0.0003","90","","90","","90","","616.77","0.06","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.52 Nb2 O6 Sr0.48 -","- Ba0.52 Nb2 O6 Sr0.48016 -","- Ba2.6 Nb10 O30 Sr2.4008 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0541","0.0299","","","0.0506","0.0545","","","","","","1.004","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100721","12.4575","0.0007","12.4575","0.0007","3.9382","0.0003","90","","90","","90","","611.17","0.07","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.39 Nb2 O6 Sr0.61 -","- Ba0.39016 Nb2 O6 Sr0.61016 -","- Ba1.9508 Nb10 O30 Sr3.0508 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0492","0.033","","","0.072","0.0758","","","","","","1.14","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100722","12.4179","0.0009","12.4179","0.0009","3.9074","0.0005","90","","90","","90","","602.54","0.1","298","2","298","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba0.14 Nb2 O6 Sr0.86 -","- Ba0.14256 Nb2 O6 Sr0.85748 -","- Ba0.7128 Nb10 O30 Sr4.2874 -","5","0.625","WS5047","Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus","Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82","Acta Crystallographica Section B","2006","62","6","960","965","10.1107/S0108768106038869","","","0.71073","MoKα","","0.0848","0.0451","","","0.0834","0.0913","","","","","","0.957","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101216","5.5743","0.0004","5.5743","0.0004","7.5053","0.0006","90","","90","","90","","233.21","0.03","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","","","","","- B Ba Cu La O5 -","- B0.25 Ba0.25 Cu0.25 La0.25 O1.25 -","- B2 Ba2 Cu2 La2 O10 -","8","1","AB0325","Norrestam, R.; Kritikos, M.; Sjödin, A.","On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~","Acta Crystallographica Section B","1994","50","6","631","636","10.1107/S0108768194003873","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101577","8.527","0.001","8.527","0.001","5.2104","0.0009","90","","90","","90","","378.85","0.09","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","- Ba4 O16 Si4 Ti2 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101584","8.8581","0.0013","8.8581","0.0013","5.4711","0.0011","90","","90","","90","","429.29","0.12","","","","","","","","","","","","6","P 4 b m","P 4 -2ab","","","","","- Ba Cl Cu K O7 V2 -","- Cl2 Cu2 K4 O14 V4 -","- Cl2 Cu2 K4 O14 V4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101585","12.589","","12.589","","4.009","","90","","90","","90","","635.358","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- Ba6 Co Nb9 O30 -","- Ba6 Co2 Nb8 O30 -","- Ba6 Co2 Nb8 O30 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101586","8.7404","0.0008","8.7404","0.0008","8.136","","90","","90","","90","","621.55","0.08","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","","","","","- K2 Nb2 O14 Si4 -","- K4 Nb4 O28 Si8 -","- K4 Nb4 O28 Si8 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101587","4.283","","4.283","","7.36","","90","","90","","90","","135.012","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","","","","","- Cr N Nb -","- Cr4 N4 Nb4 -","- Cr4 N4 Nb4 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102068","5.5191","0.0001","5.5191","0.0001","3.9085","0.0005","90","","90","","90","","119.055","0.005","","","698","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi Na O6 Ti2 -","2","0.25","BM0024","Jones, G. O.; Thomas, P. A.","The tetragonal phase of Na~0.5~Bi~0.5~TiO~3~ – a new variant of the perovskite structure","Acta Crystallographica Section B","2000","56","3","426","430","10.1107/S0108768100001166","","","1.595","","","","","","","","","","","0.069","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2103296","5.5179","0.0002","5.5179","0.0002","3.9073","0.0002","90","","90","","90","","118.966","0.009","","","673","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi Na O6 Ti2 -","2","0.25","OS0082","Jones, G. O.; Thomas, P. A.","Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~","Acta Crystallographica Section B","2002","58","2","168","178","10.1107/S0108768101020845","","neutron","1.594","neutron","","","","","","","","","","0.786","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106680","8.87","","8.87","","5.215","","90","","90","","90","","410.3","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","K2 V O (V2 O7)","","- K2 O8 V3 -","- K2 O8 V3 -","- K4 O16 V6 -","2","0.25","","Galy, J.; Carpy, A.","Structure cristalline de K2 V3 O8 ou K2 (V O) (V2 O7)","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1794","1795","","","","","","","","","","","","","","","","","","","","","","has coordinates","154900","2020-10-21","18:00:00",""
"2107265","8.642","","8.642","","5.63","","90","","90","","90","","420.472","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba2 (Ti O) (Si2 O7)","","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Kunz, M.; Armbruster, T.","Applications and limitations of the ionic potential model with empirically derived ion-specific repulsion parameters","Acta Crystallographica B (39,1983-)","1992","48","","609","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2109101","8.5104","0.0012","8.5104","0.0012","5.1975","0.001","90","","90","","90","","376.44","0.1","293","2","293","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","RA5120","Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M.","Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","184","194","10.1107/S2052520622012045","","","0.71073","MoKα","","0.0115","0.0115","","","0.0267","0.0267","","","","","","1.196","","","","has coordinates,has Fobs","282434","2023-04-05","16:29:04",""
"2237244","8.32","0.0003","8.32","0.0003","5.0239","0.0002","90","","90","","90","","347.77","0.02","293","","293","","","","","","","","","4","P 4 b m","P 4 -2ab","100","Strontium fresnoite","Distrontium oxidotitanium disilicate","","- O8 Si2 Sr2 Ti -","- O8 Si2 Sr2 Ti -","- O16 Si4 Sr4 Ti2 -","2","0.25","WM2699","Bell, Anthony M. T.; Henderson, C. Michael B.","Sr‒fresnoite determined from synchrotron X-ray powder diffraction data","Acta Crystallographica Section E","2013","69","1","i1","","10.1107/S1600536812048921","powder diffraction","","0.207549","Synchrotron","","","","","","","","","","5.5739","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238610","12.43478","0.00012","12.43478","0.00012","3.93697","0.00006","90","","90","","90","","608.749","0.012","100","1","100","1","","","","","","","","4","P 4 b m","P 4 -2ab","100","SBN60","Strontium barium niobium oxide","","- Ba0.4 Nb2 O6 Sr0.6 -","- Ba0.4 Nb2 O6 Sr0.6 -","- Ba2 Nb10 O30 Sr3 -","5","0.625","FF2110","Stachowicz, Marcin; Gawryszewska, Olga; Swirkowicz, Marek A.; Lukasiewicz, Tadeusz","SBN60, strontium-barium niobate at 100K","Acta Crystallographica Section E","2013","69","10","i69","i70","10.1107/S1600536813025142","","","0.71073","MoKα","","0.0286","0.0274","","","0.0734","0.0741","","","","","","1.161","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2239525","10.1988","0.0004","10.1988","0.0004","4.84153","0.00019","90","","90","","90","","503.59","0.03","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","lanthanum silicon nitride","Trilanthanum hexasilicon undecanitrogen","","- La3 N11 Si6 -","- La3 N11 Si6 -","- La6 N22 Si12 -","2","0.25","RU2057","Yamane, Hisanori; Nagura, Toshiki; Miyazaki, Tomohiro","La~3~Si~6~N~11~","Acta Crystallographica Section E","2014","70","6","i23","i24","10.1107/S1600536814009234","","","0.71075","MoKα","","0.0193","0.0173","","","0.0294","0.0303","","","","","","1.201","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2310682","12.54","","12.54","","4.01","","90","","90","","90","","630.579","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba6 Ti2 Nb8 O30","","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","1","0.125","","Stephenson, N.C.","The crystal structure of the tetragonal bronze Ba6 Ti2 Nb8 O30","Acta Crystallographica (1,1948-23,1967)","1965","18","","496","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","151691","2020-10-21","18:00:00",""
"4000412","12.634","0.001","12.634","0.001","3.9515","0.0003","90","","90","","90","","630.73","0.09","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","1","0.125","","Fabbrici, Simone; Montanari, Erica; Righi, Lara; Calestani, Gianluca; Migliori, Andrea","Charge order and tilt modulation in multiferroic K~x~M^2+~x~M^3+~1-x~F~3~ (0.4<x<0.6) transition metal fluorides with tetragonal tungsten bronze structure","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0272","0.0215","","0.0515","0.0497","","","","1","1.05","1.05","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001508","12.4938","0.0014","12.4938","0.0014","3.9519","0.0002","90","","90","","90","","616.87","0.1","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba1.938 Bi0.375 Nb5 O15 -","- Ba1.9374 Bi0.3752 Nb5 O15 -","- Ba3.8748 Bi0.7504 Nb10 O30 -","2","0.25","","Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.","Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15","Chemistry of Materials","2006","18","5","1240","","10.1021/cm052422j","","","0.71069","MoKα","","0.0341","0.0341","","","0.084","0.084","","","","1.93","1.93","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4003090","10.1142","0.0006","10.1142","0.0006","4.8988","0.0003","90","","90","","90","","501.13","0.05","295","2","295","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","La2.23Ca1.16Si6N11","","","- Ca1.16 La2.23 N11 Si6 -","- Ca1.18 La2.2144 N11 Si6 -","- Ca2.36 La4.4288 N22 Si12 -","2","0.25","","Maak, Christian; Durach, Dajana; Martiny, Christoph; Schmidt, Peter J.; Schnick, Wolfgang","Narrow-Band Yellow-Orange Emitting La3‒xCa1.5xSi6N11:Eu2+ (x ≈ 0.77): A Promising Phosphor for Next-Generation Amber pcLEDs","Chemistry of Materials","2018","30","10","3552","","10.1021/acs.chemmater.8b01401","","","0.71073","MoKα","","0.0162","0.0162","","","0.0372","0.0372","","","","","","1.176","","","","has coordinates","226200","2020-10-21","18:00:00",""
"4132048","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4 b m","P 4 -2ab","100","39% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.743 -","- C H5 I3 N2 Pb0.743 -","- C2 H10 I6 N4 Pb1.486 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0877","0.0769","","","0.1475","0.1483","","","","3.65","3.65","3.32","","","","has coordinates","242090","2020-10-21","18:00:00",""
"4313848","8.4939","0.0012","8.4939","0.0012","5.4029","0.0011","90","","90","","90","","389.8","0.11","300","2","300","2","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- Ba2 Cl Mn O7 Si2 -","- Ba2 Cl Mn O7 Si2 -","- Ba4 Cl2 Mn2 O14 Si4 -","2","0.25","","Xunhua Mo; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Ba2MnSi2O7Cl. A Fresnoite-Type Polar Framework Containing the Acentric [Si2O7]6- Polyanion in the Anti-ReO3 Type [(Ba2Mn)Cl]6+ Cage","Inorganic Chemistry","2003","42","","3978","3980","10.1021/ic0342245","","","0.71073","MoKα","","0.0182","0.0164","","","0.0402","0.0406","","","","","","1.05","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4334972","8.9448","0.0004","8.9448","0.0004","6.0032","0.0003","90","","90","","90","","480.31","0.04","294","2","294","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- Cs2 O8 V3 -","- Cs2 O8 V3 -","- Cs4 O16 V6 -","2","0.25","","Jeongho Yeon; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye","Crystal Growth, Structure, Polarization, and Magnetic Properties of Cesium Vanadate, Cs2V3O8: A Structure-Property Study","Inorganic Chemistry","2013","52","","6179","6186","10.1021/ic400601n","","","0.71073","MoKα","","0.0257","0.0256","","","0.0615","0.0615","","","","","","1.433","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4506221","21.6145","0.0004","21.6145","0.0004","5.1678","0.0001","90","","90","","90","","2414.33","0.08","298","2","298","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C36 H42 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O7 -","- C72 H56 Cl4 Cu2 N16 O14 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.082","0.0715","","","0.212","0.2263","","","","","","1.161","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4517853","8.8379","0.0011","8.8379","0.0011","12.4066","0.0017","90","","90","","90","","969.1","0.2","100","2","100","2","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C4 H20 I12 N8 Sn4 -","4","0.5","","Kahmann, Simon; Nazarenko, Olga; Shao, Shuyan; Hordiichuk, Oleh; Kepenekian, Mikaël; Even, Jacky; Kovalenko, Maksym V.; Blake, Graeme R.; Loi, Maria A.","Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Films","ACS Energy Letters","2020","","","2512","2519","10.1021/acsenergylett.0c01166","","","0.71073","MoKα","","0.0449","0.0429","","","0.1325","0.1344","","","","","","1.075","","","","has coordinates","257083","2020-10-21","18:00:00",""
"6000139","12.374","","12.374","","3.8785","","90","","90","","90","","593.86","","","","","","","","","","","","","4","P 4 b m","","","","","","- Al0.7 Nb9.3 O30 Sr5.7 -","","","","","","Chan, J. Y.; Levin, I.; Vanderah, T. A.; Geyer, R. G.; Roth, R. S.","Subsolidus phase relations and dielectric properties in the SrO-Al2O3-Nb2O5 system","International Journal of Inorganic Materials","2000","2","","107","114","10.1016/S1466-6049(00)00014-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000626","8.3039","","8.3039","","5.7658","","90","","90","","90","","397.58","","","","","","","","","","","","","5","P 4 b m","","","","","","- H8 N2 O8 P2 V -","","","","","","Trommer, J.; Worzala, H.; Rabe, S.; Schneider, M.","Structural investigations of ammonium vanadium diphosphates by X-ray powder diffraction","Journal of Solid State Chemistry","1998","136","","181","192","10.1006/jssc.1997.7673","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7129657","25.0238","0.0007","25.0238","0.0007","10.8155","0.0006","90","","90","","90","","6772.6","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- C146 H175 N5 O24 -","- C146 H175 N5 O24 -","- C292 H350 N10 O48 -","2","0.25","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","x-ray","0.71073","MoKα","","0.0624","0.052","","","0.1006","0.1046","","","","","","1.101","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7704781","8.8551","0.0003","8.8551","0.0003","5.5652","0.0005","90","","90","","90","","436.38","0.04","110","","110","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0362","0.0335","","","0.0671","0.0685","","","","","","1.145","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704782","8.8895","0.0004","8.8895","0.0004","5.5731","0.0006","90","","90","","90","","440.4","0.06","300","","300","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0379","0.0338","","","0.0702","0.0725","","","","","","1.113","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704783","8.8599","0.0004","8.8599","0.0004","5.5653","0.0006","90","","90","","90","","436.86","0.05","130","","130","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0318","","","0.0651","0.0671","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704784","8.8761","0.0004","8.8761","0.0004","5.5632","0.0006","90","","90","","90","","438.3","0.05","190","","190","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0313","0.0283","","","0.0589","0.0605","","","","","","1.147","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704785","8.8669","0.0004","8.8669","0.0004","5.565","0.0006","90","","90","","90","","437.53","0.05","160","","160","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0349","0.0316","","","0.0653","0.0672","","","","","","1.159","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704786","8.8776","0.0004","8.8776","0.0004","5.561","0.0006","90","","90","","90","","438.27","0.05","200","","200","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.033","0.0288","","","0.0604","0.0628","","","","","","1.143","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704787","8.8572","0.0003","8.8572","0.0003","5.5653","0.0005","90","","90","","90","","436.6","0.04","120","","120","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0367","0.0335","","","0.068","0.0692","","","","","","1.182","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704788","8.862","0.0004","8.862","0.0004","5.5652","0.0006","90","","90","","90","","437.06","0.05","140","","140","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0353","0.0311","","","0.0635","0.0657","","","","","","1.165","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704789","8.8891","0.0003","8.8891","0.0003","5.5691","0.0005","90","","90","","90","","440.05","0.04","270","2","270","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0358","0.0325","","","0.068","0.0697","","","","","","1.104","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704790","8.8868","0.0003","8.8868","0.0003","5.5606","0.0005","90","","90","","90","","439.15","0.04","220","","220","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0289","0.0269","","","0.0547","0.0558","","","","","","1.11","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704791","8.87","0.0004","8.87","0.0004","5.5649","0.0006","90","","90","","90","","437.83","0.05","170","","170","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0351","0.0316","","","0.0652","0.0673","","","","","","1.168","","","","has coordinates","257530","2020-10-21","18:00:00",""
"7704792","8.8884","0.0003","8.8884","0.0003","5.5625","0.0005","90","","90","","90","","439.46","0.04","240","","240","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 V3 -","- H8 N2 O8 V3 -","- H16 N4 O16 V6 -","2","0.25","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Yao, Wan-Wan; Wang, Xiao-Zu; Qian, Yin; Ren, Xiao-Ming","Uniaxial thermal expansion behaviors and ionic conduction in a layered (NH<sub>4</sub>)<sub>2</sub>V<sub>3</sub>O<sub>8</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10638","10644","10.1039/d0dt01833c","","","0.71073","MoKα","","0.0302","0.0279","","","0.0576","0.0588","","","","","","1.13","","","","has coordinates","257530","2020-10-21","18:00:00",""
"8103812","8.483","","8.483","","5.25","","90","","90","","90","","377.797","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba2 (V Si2 O8)","","- Ba2 O8 Si2 V -","- Ba2 O8 Si2 V -","- Ba4 O16 Si4 V2 -","2","0.25","","Hoeche, T.; Esmaeilzadeh, S.; Withers, R.L.; Schirmer, H.","Structural studies on the fresnoite type compound Ba2 V Si2 O8","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","788","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103855","10.099","","10.099","","4.843","","90","","90","","90","","493.937","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","Pr3 (Si6 N11)","","- N11 Pr3 Si6 -","- N11 Pr3 Si6 -","- N22 Pr6 Si12 -","2","0.25","","Schlieper, T.; Schnick, W.","Crystal structure of tripraseodymium hexasiliconundeanitride, Pr3 Si6 N11","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","254","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","161456","2020-10-21","18:00:00",""
"8104140","12.54","","12.54","","4.037","","90","","90","","90","","634.825","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Pb0.75 K1.8 Li1.7 Nb5 O15","","- K1.8 Li1.7 Nb5 O15 Pb0.75 -","- K1.802 Li1.696 Nb5 O15 Pb0.75 -","- K3.604 Li3.392 Nb10 O30 Pb1.5 -","2","0.25","","Elaatmani, M.; Zegzouti, A.; Capitelli, F.; Moliterni, A.G.G.; Calestani, G.; Migliori, A.","Synthesis, X-ray crystal structure and dielectric measurements of a tetragonal tungsten bronze: Pb0.75 K1.80 Li1.70 Nb5 O15","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","26","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","164491","2020-10-21","18:00:00",""
"9008188","8.518","","8.518","","5.211","","90","","90","","90","","378.091","","","","","","","","","","","","sanbornite deposits of eastern Fresno County, California, USA","4","P 4 b m","P 4 -2ab","100","","","Fresnoite","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Moore, P. B.; Louisnathan, S. J.","The crystal structure of fresnoite, Ba2(TiO)Si2O7 Positive polarity","Zeitschrift fur Kristallographie","1969","130","","438","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008189","8.518","","8.518","","5.211","","90","","90","","90","","378.091","","","","","","","","","","","","sanbornite deposits of eastern Fresno County, California, USA","4","P 4 b m","P 4 -2ab","100","","","Fresnoite","- Ba2 O8 Si2 Ti -","- Ba2 O8 Si2 Ti -","- Ba4 O16 Si4 Ti2 -","2","0.25","","Moore, P. B.; Louisnathan, S. J.","The crystal structure of fresnoite, Ba2(TiO)Si2O7 Negative polarity","Zeitschrift fur Kristallographie","1969","130","","438","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9017769","8.73885","","8.73885","","8.1277","","90","","90","","90","","620.692","","","","","","","","","","","","Chuktukon Carbonatite Massif, Russia","6","P 4 b m","P 4 -2ab","100","","","Rippite","- K Nb0.96 O7 Si2 Ti0.02 Zr0.01 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","- K4 Nb3.84 O28 Si8 Ti0.08 Zr0.04 -","","","","Sharygin, V. V.; Doroshkevich, A. G.; Seryotkin, Y. V.; Karmanov, N. S.; Belogub, E. V.; Moroz, T. N.; Nigmatulina, E. N.; Yelisseyev, A. P.; Vedenyapin, V. N.; Kupriyanov, I. N.","Rippite, K2(Nb,Ti)2(Si4O12)O(O,F), a new K-Nb-cyclosilicate from Chuktukon Carbonatite Massif, Chadobets Upland, Krasnoyarsk Territory, Russia","Minerals","2020","10","","","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""