# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-31T14:30:03+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 144 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
"1000502","10.695","0.006","6.32","0.004","10.328","0.006","90","","117.8","0.04","90","","617.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium gadolinium oxide bis(borate)","","- B2 Gd2 Na2 O7 -","- B2 Gd2 Na2 O7 -","- B8 Gd8 Na8 O28 -","4","1","","Corbel, G; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M","Crystal structure of sodium rare earth oxyborates Na2 Ln2 (B O3)2 O(Ln = Sm, Eu, and Gd) and optical analysis of Na2 Gd2 (B O3)2 O:Eu(3+)","Journal of Solid State Chemistry","1999","144","","35","44","10.1006/jssc.1998.8107","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004146","5.566","0.002","5.566","0.002","18.18599","0.005","90","","90","","120","","487.9","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Strontium ruthenium oxide (4/3.05/12)","","- O12 Ru3.05 Sr4 -","- O12 Ru3.05 Sr4 -","- O24 Ru6.1 Sr8 -","2","0.166667","","Renard, C; Daviero-Minaud, S; Huve, M; Abraham, F","Sr4 Ru3.05 O12: a new member of the hexagonal perovskite family","Journal of Solid State Chemistry","1999","144","","125","135","10.1006/jssc.1999.8132","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007043","6.026","0.005","6.026","0.005","6.026","0.005","90","","90","","90","","218.8","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Masse, R; Tordjman, I; Durif, A","Affinement de la structure cristalline du monophosphate d'argent Ag~3~ P O~4~. Existence d'une forme haute temperature","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","76","81","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009011","4.1549","0.0001","4.1549","0.0001","21.82729","0.0006","90","","90","","90","","376.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium potassium dibismuthate (1.6/1.4/1)","","- Bi2 K1.4 O7 Sr1.6 -","- Bi2 K1.4 O7 Sr1.6 -","- Bi4 K2.8 O14 Sr3.2 -","2","0.0625","","Pshirkov, J S; Kazakov, S M; Bougerol-Chaillout, C; Bordet, P; Capponi, J J; Putilin, S N; Antipov, E V","A new layered bismuthate (Sr,K)3 Bi2 O7: synthesis and crystal structure","Journal of Solid State Chemistry","1999","144","","405","408","10.1006/jssc.1999.8181","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010873","12.141","0.005","12.141","0.005","12.141","0.005","90","","90","","90","","1789.6","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Trihydrogen dodecatungstophosphate","","- H3 O40 P W12 -","- H3 O40 P W12 -","- H6 O80 P2 W24 -","2","0.0416667","","Keggin, J F","The Structure and Formula of 12-Phosphotungstic Acid","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1934","144","","75","100","10.1098/rspa.1934.0035","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509625","18.955","","18.955","","4.406","","90","","90","","120","","1370.95","","","","","","","","","","","","","3","P 63","P 6c","173","","K2 Ag12 Se7.11","","- Ag12 K2 Se7.11 -","- Ag12 K2 Se7.11107 -","- Ag36 K6 Se21.3332 -","3","0.5","","Emirdag, M.; Pennington, W.T.; Kolis, J.W.; Schimek, G.L.","Synthesis of two new metallic alkali metal silver selenides, K2 Ag12 Se7.11 and Rb Ag5 Se3, from supercritical ethylenediamine","Journal of Solid State Chemistry","1999","144","","287","296","10.1006/jssc.1999.8130","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509927","6.0814","","6.0814","","11.112","","90","","90","","90","","410.96","","","","","","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","Rb Ag5 Se3","","- Ag5 Rb Se3 -","- Ag5 Rb Se3 -","- Ag10 Rb2 Se6 -","2","0.125","","Kolis, J.W.; Schimek, G.L.; Pennington, W.T.; Emirdag, M.","Synthesis of two new metallic alkali metal silver selenides, K2 Ag12 Se7.11 and Rb Ag5 Se3, from supercritical ethylenediamine","Journal of Solid State Chemistry","1999","144","","287","296","10.1006/jssc.1999.8130","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509978","7.672","","17.66599","","8.937","","90","","107.89","","90","","1152.7","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba Ag8 S5","","- Ag8 Ba S5 -","- Ag8 Ba S5 -","- Ag32 Ba4 S20 -","4","1","","Chong Zheng; Dabrowski, B.; Check, C.E.; Zhang Jianhua","Synthesis and structure of a new ternary silver-rich sulfide Ba Ag8 S5","Journal of Solid State Chemistry","1999","144","","409","415","10.1006/jssc.1999.8188","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510278","3.994","","3.994","","3.994","","90","","90","","90","","63.712","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au Pt -","- Au Pt -","- Au2 Pt2 -","2","0.0104167","","Voitlander, J.; Ebert, H.; Abart, J.","Magnetic susceptibility of Aux Pt1-x","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1985","144","","223","229","10.1524/zpch.1985.144.144.223","","","","","","","","","","","","","","","","","","","","","has coordinates","282501","2023-04-07","06:50:01",""
"1510800","7.719","","5.341","","11.873","","90","","92.71","","90","","488.943","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr2 (B2 O5)","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B8 O20 Sr8 -","4","1","","Chen, J.-T.; Lin, Q.-S.; Huang, J.-S.; Cheng, W.-D.","Crystal and electronic structures and linear optics of strontium pyroborate","Journal of Solid State Chemistry","1999","144","","30","34","10.1006/jssc.1998.8100","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511220","9.236","","9.236","","2.768","","90","","90","","120","","204.486","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Li Pt3 B","","- B Li Pt3 -","- B Li Pt3 -","- B3 Li3 Pt9 -","3","0.25","","Mirgel, R.; Jung, W.","The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type","Journal of the Less-Common Metals","1988","144","","87","99","10.1016/0022-5088(88)90352-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511249","5.547","","5.547","","5.504","","90","","90","","120","","146.665","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Na Pt3 B","","- B Na Pt3 -","- B Na Pt3 -","- B2 Na2 Pt6 -","2","0.0833333","","Mirgel, R.; Jung, W.","The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type","Journal of the Less-Common Metals","1988","144","","87","99","10.1016/0022-5088(88)90352-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511552","5.539","","11.401","","15.047","","90","","90","","90","","950.22","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na3 Pt9 B5","","- B5 Na3 Pt9 -","- B5 Na3 Pt9 -","- B20 Na12 Pt36 -","4","0.25","","Jung, W.; Mirgel, R.","The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type","Journal of the Less-Common Metals","1988","144","","87","99","10.1016/0022-5088(88)90352-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514008","8.225","0.001","8.225","0.001","8.225","0.001","90","","90","","90","","556.43","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0194","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514009","8.206","0.001","8.206","0.001","8.206","0.001","90","","90","","90","","552.58","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0156","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514010","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.64/2/4)","","- Li0.64 Mn2 O4 -","- Li0.64 Mn2 O4 -","- Li5.12 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0173","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514011","8.136","0.001","8.136","0.001","8.136","0.001","90","","90","","90","","538.56","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.65/2/4)","","- Li0.65 Mn2 O4 -","- Li0.65 Mn2 O4 -","- Li5.2 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0166","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514012","8.113","0.001","8.113","0.001","8.113","0.001","90","","90","","90","","534","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.49/2/4)","","- Li0.49 Mn2 O4 -","- Li0.49 Mn2 O4 -","- Li3.92 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0197","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514013","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.22/2/4)","","- Li0.22 Mn2 O4 -","- Li0.22 Mn2 O4 -","- Li1.76 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514014","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.27/2/4)","","- Li0.27 Mn2 O4 -","- Li0.27 Mn2 O4 -","- Li2.16 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0159","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1522077","7.355","","7.355","","14.51","","90","","90","","90","","784.933","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","","","- La7 Ni16 -","- La7 Ni16 -","- La14 Ni32 -","2","0.125","","Klimyenko, A.V.; Seuntjens, J.; Jacobson, R.A.; Beaudry, B.J.; Miller, L.L.; Gschneidner, K.A.jr.","Structure of La Ni2.286 and the La-Ni system from La Ni1.75 - La Ni2.5","Journal of the Less-Common Metals","1988","144","","133","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522694","5.17","","5.17","","5.17","","90","","90","","90","","138.188","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- La -","- La -","- La4 -","4","0.0208333","","Piermarini, G.J.; Weir, C.E.","Allotropy of some rare-earth metals at high pressure","Science","1964","144","","69","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523814","8.4917","","8.4917","","4.7713","","90","","90","","90","","344.054","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe10 Tb V2 -","- Fe10 Tb V2 -","- Fe20 Tb2 V4 -","2","0.0625","","Helmholdt, R.B.; Vleggaar, J.J.M.; Buschow, K.H.J.","Crystallograhic and magnetic structure of Tb Fe10 V2 and Er Fe10 V2","Journal of the Less-Common Metals","1988","144","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524536","8.4627","","8.4627","","4.7644","","90","","90","","90","","341.213","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Er Fe10 V2 -","- Er Fe10 V2 -","- Er2 Fe20 V4 -","2","0.0625","","Helmholdt, R.B.; Vleggaar, J.J.M.; Buschow, K.H.J.","Crystallographic and magnetic structure of Tb Fe10 V2 and Er Fe10 V2","Journal of the Less-Common Metals","1988","144","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525740","2.80247","","2.80247","","9.5358","","90","","90","","120","","64.859","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Li1.03 Co0.94 O1.88","","- Co0.94 Li1.03 O1.88 -","- Co0.94 Li1.03 O1.88 -","- Co1.88 Li2.06 O3.76 -","2","0.166667","","Carlier, D.; Saadoune, I.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the metastable O2-type Li Co O2","Solid State Ionics","2001","144","","263","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","146785","2020-10-21","18:00:00",""
"1530662","11.3326","","11.3326","","11.3326","","90","","90","","90","","1455.42","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Ti4 Fe2 O0.4","","- Fe2 O0.4 Ti4 -","- Fe2 O0.407 Ti4 -","- Fe32 O6.512 Ti64 -","16","0.0833333","","Rupp, B.; Fischer, P.","Reinvestigation of the oxygen stabilized Ti2 Ni-type phase Ti4 Fe2 O.4 by neutron diffraction","Journal of the Less-Common Metals","1988","144","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","155800","2020-10-21","18:00:00",""
"1530826","10.686","","6.604","","8.338","","90","","106.39","","90","","564.504","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(N H4)3 ((F O (O2)2 Mo) F (Mo (O2)2 O F))","","- F3 H12 Mo2 N3 O10 -","- F3 H12 Mo2 N3 O10 -","- F6 H24 Mo4 N6 O20 -","2","0.5","","Stomberg, R.","Studies on peroxomolybdates. XVI: A new fluoro-bridged tetraperoxodimolybdate. Crystal structure of ammonium mue-fluoro-bis(fluorooxodiperoxomolybdate(VI)), (N H4)3 (F (Mo F O (O2)2)2)","Journal of the Less-Common Metals","1988","144","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538615","6.218","","6.218","","6.218","","90","","90","","90","","240.41","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Pb2 S Te -","- Pb2 S Te -","- Pb4 S2 Te2 -","2","0.0104167","","Leute, V.; Volkmer, N.","A contribution to the phase diagram of the quasibinary system Pb [S(1-x) Tex]","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1985","144","","145","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538618","6.462","","6.462","","6.462","","90","","90","","90","","269.837","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Leute, V.; Volkmer, N.","A contribution to the phase diagram of the quasibinary system Pb [S(1-x) Tex]","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1985","144","","145","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539014","4.88","","4.88","","4.88","","90","","90","","90","","116.214","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Pr -","- Pr -","- Pr4 -","4","0.0208333","","Piermarini, G.J.; Weir, C.E.","Allotropy in some rare-earth metals at high pressures","Science","1964","144","","69","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539144","6.24","","6.24","","6.24","","90","","90","","90","","242.971","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sm Sb","","- Sb Sm -","- Sb Sm -","- Sb4 Sm4 -","4","0.0208333","","Sadigov, F.M.; Shahguliyev, N.S.; Aliev, O.M.","The samarium-antimony phase diagram","Journal of the Less-Common Metals","1988","144","","L5","L8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539593","8.1305","","8.1305","","8.1305","","90","","90","","90","","537.467","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Al2 Eu -","- Al2 Eu -","- Al16 Eu8 -","8","0.0416667","","Appa Rao, B.; Kistaiah, P.; Satyanarayana Murthy, K.","Variation of lattice parameter and coefficient of thermal expansion of Sm Al2 and Eu Al2","Physica Status Solidi, Sectio A: Applied Research","1994","144","","K1","K3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4135636","18.6097","0.0005","19.5333","0.0005","16.7214","0.0004","90","","96.1449","0.0015","90","","6043.5","0.3","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C103 H20 O2 S6 -","- C102.66 H20 O2 S6 -","- C410.64 H80 O8 S24 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1385","0.0977","","","0.2156","0.2436","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","272065","2022-01-16","14:30:41",""
"4135637","30.4743","0.0011","10.2536","0.0004","27.1459","0.001","90","","104.991","0.0019","90","","8193.6","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C110 H60 Cl10 O4 -","- C110 H60 Cl10 O4 -","- C440 H240 Cl40 O16 -","4","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.0926","0.0874","","","0.2254","0.231","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","272066","2022-01-16","14:30:57",""
"4135638","13.7614","0.0005","14.9731","0.0006","17.3086","0.0007","78.771","0.002","78.615","0.002","75.028","0.002","3338.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H44 Cl12 O4 -","- C84 H44 Cl12 O4 -","- C168 H88 Cl24 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1151","0.0947","","","0.2925","0.3206","","","","","","1.255","","","","has coordinates,has disorder","272067","2022-01-16","14:31:09",""
"4135639","19.5697","0.0009","17.9147","0.0009","38.807","0.002","90","","104.474","0.002","90","","13173.4","1.1","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C148 H80 Cl12 O4 -","- C148 H80 Cl12 O4 -","- C592 H320 Cl48 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1131","0.0892","","","0.2359","0.2532","","","","","","1.022","","","","has coordinates,has disorder","272068","2022-01-16","14:31:24",""
"4135640","18.667","0.002","19.234","0.002","16.2905","0.0019","90","","108.354","0.005","90","","5551.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H65 Cl27 O4 -","- C121 H65 Cl26.998 O4 -","- C242 H130 Cl53.996 O8 -","2","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1504","0.0884","","","0.2433","0.2903","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272069","2022-01-16","14:31:49",""
"4135641","43.4297","0.0017","13.7993","0.0006","20.6059","0.0009","90","","102.772","0.002","90","","12043.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H84 Cl18 O4 -","- C150 H84 Cl18 O4 -","- C600 H336 Cl72 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.0782","0.0697","","","0.1852","0.1934","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","272070","2022-01-16","14:32:17",""
"4135642","10.4352","0.0014","17.672","0.002","19.298","0.003","68.679","0.008","86.263","0.009","82.937","0.008","3289.2","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H64 O4 -","- C76 H54 O4 -","- C152 H108 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1875","0.0932","","","0.2175","0.242","","","","","","0.965","","","","has coordinates,has disorder","272071","2022-01-16","14:32:34",""
"6000297","3.7217","","7.5158","","8.8321","","90","","90","","90","","247.05","","","","","","","","","","","","","4","P m m m","","","","","","- Ni O5 Sr2 Ti -","","","","","","Knee, C. S.; Weller, M. T.","Structure of TlSr2NiO4+delta by high-resolution neutron powder diffraction","Journal of Solid State Chemistry","1999","144","","62","67","10.1006/jssc.1998.8118","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000298","13.6607","","13.6607","","13.6607","","90","","90","","90","","2549.29","","","","","","","","","","","","","4","P 41 3 2","","","","","","- K3 La2 N9 O27 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","Potassium lanthanum nitrate system: Phase equilibria and thermal and structural properties","Journal of Solid State Chemistry","1999","144","","68","80","10.1006/jssc.1998.8119","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000299","7.616","","16.459","","7.704","","90","","102.48","","90","","942.89","","","","","","","","","","","","","3","P 1 21 1","","","","","","- Ce6 O25 Ta6 -","","","","","","Thompson, J. G.; Rae, A. D.; Bliznyuk, N.; Withers, R. L.","Ordering of Ce-III/Ce-IV and interstitial oxygens in CeTaO4+x (x approximate to 0.17) superstructure","Journal of Solid State Chemistry","1999","144","","240","246","10.1006/jssc.1998.8030","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103492","7.01","","7.01","","3.968","","90","","90","","90","","194.988","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Er B4","","- B4 Er -","- B4 Er -","- B16 Er4 -","4","0.25","","Will, G.; Schaefer, W.","The crystal structures of ErB4 and DyB4studied by neutron diffraction","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","217","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103644","7.152","","8.919","","14.488","","90","","98.94","","90","","912.943","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hg3 (O H)2 (S O4)2 (H2 O)","","- H4 Hg3 O11 S2 -","- H4 Hg3 O11 S2 -","- H16 Hg12 O44 S8 -","4","0.5","","Aurivillius, K.; Stalhandske, C.","A neutron diffraction study of trimercury(II) dihydroxide disulphate monohydrate, Hg3 (O H)2 (S O4)2 (H2 O)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","148405","2020-10-21","18:00:00",""
"8103645","6.53","","8.8","","7.4","","90.75","","121.25","","91.05","","363.349","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Ca (Ge2 O5)","","- Ca Ge2 O5 -","- Ca Ge2 O5 -","- Ca4 Ge8 O20 -","4","","","Aust, H.; Voellenkle, H.; Wittmann, A.","Die Kristallstruktur der Hoch- und der Tieftemperaturform von Ca Ge2 O5","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","82","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103649","11.636","","11.636","","6.252","","90","","90","","90","","846.499","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Be (O H2)4 (N O3)2","","- Be H8 N2 O10 -","- Be H8 N2 O10 -","- Be4 H32 N8 O40 -","4","0.25","","Divjakovic, V.; Edenharter, A.; Nowacki, W.; Ribar, B.","Die Kristallstruktur von Tetraaquo-Berylliumnitrat Be (O H2)4 (N O3)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","314","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103670","6.019","","8.629","","5.729","","90","","92.65","","90","","297.234","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Co (N O3)2 (H2 O)2","","- Co H4 N2 O8 -","- Co N2 O8 -","- Co2 N4 O16 -","2","0.5","","Ribar, B.; Milinski, N.; Herak, R.; Krstanovic, I.; Djuric, S.","The crystal structure of cobalt nitrate dihydrate Co (N O3)2 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103671","5.766","","5.907","","8.467","","90","","90.96","","90","","288.344","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ni (N O3)2 (H2 O)2","","- H4 N2 Ni O8 -","- N2 Ni O8 -","- N4 Ni2 O16 -","2","0.5","","Ribar, B.; Milinski, N.","The crystal structure of nickel nitrate dihydrate Ni (N O3)2 (H2 O)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","126","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103676","4.8238","","5.7504","","4.9901","","90","","91.18","","90","","138.39","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Mn W O4","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103677","4.6698","","5.6873","","4.9515","","90","","90","","90","","131.505","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Co (W O4)","","- Co O4 W -","- Co O4 W -","- Co2 O8 W2 -","2","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103678","4.5992","","5.6606","","4.9068","","90","","90.03","","90","","127.745","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Ni W O4","","- Ni O4 W -","- Ni O4 W -","- Ni2 O8 W2 -","2","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103679","14.0217","","5.6752","","5.015","","90","","90","","90","","399.073","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ni Nb2 O6","","- Nb2 Ni O6 -","- Nb2 Ni O6 -","- Nb8 Ni4 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103680","14.1475","","5.712","","5.0446","","90","","90","","90","","407.657","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Co Nb2 O6 -","- Co Nb2 O6 -","- Co4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103681","14.2448","","5.7276","","5.0421","","90","","90","","90","","411.377","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe Nb2 O6 -","- Fe Nb2 O6 -","- Fe4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103682","14.4236","","5.7609","","5.0839","","90","","90","","90","","422.436","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Mn Nb2 O6 -","- Mn Nb2 O6 -","- Mn4 Nb8 O24 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103683","14.4219","","5.7513","","5.0816","","90","","90","","90","","421.492","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mn Ta2 O6","","- Mn O6 Ta2 -","- Mn O6 Ta2 -","- Mn4 O24 Ta8 -","4","0.5","","Weitzel, H.","Kristallstrukturverfeinerung von Wolframiten und Columbiten","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","238","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104283","5.8081","","9.931","","14.025","","90","","90","","90","","808.965","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba2 Ti9.25 Li3 O22","","- Ba2 Li3 O22 Ti9.25 -","- Ba2 Li3 O22 Ti9.2 -","- Ba4 Li6 O44 Ti18.4 -","2","0.25","","Tillmanns, E.; Wendt, I.","Die Kristallstruktur eines Bariumtitanlithiumoxids, Ba2 Ti9.25 Li3 O22","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","16","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104284","5.253","","9.086","","10.159","","90","","99.89","","90","","477.671","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","K0.88 Mg2.5 Si4 O10 F2","","- F2 K0.88 Mg2.5 O10 Si4 -","- F2 K0.884 Mg2.556 O10 Si4 -","- F4 K1.768 Mg5.112 O20 Si8 -","2","0.25","","Toraya, H.; Marumo, F.; Iwai, S.I.; Daimon, M.; Kondo, R.","The crystal structure of tetrasilicic potassium fluor mica, K Mg2.5 Si4 O10 F2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","42","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","168259","2020-10-21","18:00:00",""
"8104299","5.739","","24.425","","8.822","","90","","109.69","","90","","1164.32","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tl5.6 As15 S25.32","","- As15 S25.32 Tl5.6 -","- As15 S25.32 Tl5.6 -","- As15 S25.32 Tl5.6 -","1","0.25","","Divjakovic, V.; Nowacki, W.","Die Kristallstruktur von Imhofit, Tl5.6 As15 S25.3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1976","144","","323","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","168849","2020-10-21","18:00:00",""
"9008255","10.767","","5.411","","16.118","","90","","90","","90","","939.038","","","","","","","","","","","","Konjo mine, Japan","5","I 2 2 2","I 2 2","23","","","Stannoidite","- Cu8 Fe2.15 S12 Sn2 Zn0.85 -","- Cu8 Fe2.15 S12 Sn2 Zn0.85 -","- Cu16 Fe4.3 S24 Sn4 Zn1.7 -","2","0.25","","Kudoh, Y.; Takeuchi, Y.","The superstructure of stannoidite","Zeitschrift fur Kristallographie","1976","144","","145","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008256","7.732","","6.078","","16.292","","90","","90","","90","","765.644","","","","","","","","","","","","1906 eruption of Vesuvius, Italy","5","P n m a","-P 2ac 2n","62","","","Chlorothionite","- Cl2 Cu K2 O4 S -","- Cl2 Cu K2 O4 S -","- Cl8 Cu4 K8 O16 S4 -","4","0.5","","Giacovazzo, C.; Scandale, E.; Scordari, F.","The crystal structure of chlorotionite, CuK2Cl2SO4","Zeitschrift fur Kristallographie","1976","144","","226","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008257","8.755","","24.425","","5.739","","90","","108.28","","90","","1165.3","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Imhofite","- As3.75 S6.33 Tl1.4 -","- As3.75 S6.33 Tl1.4 -","- As15 S25.32 Tl5.6 -","4","1","","Divjakovic, V.; Nowacki, W.","Die kristallstruktur von imhofit, Tl5.6As15S25.3","Zeitschrift fur Kristallographie","1976","144","","323","333","10.1524/zkri.1976.144.1-6.323","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008258","8.2362","","8.2362","","22.1786","","90","","90","","120","","1302.92","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Mikasaite","- Fe2 O12 S3 -","- Fe2 O12 S3 -","- Fe12 O72 S18 -","6","0.333333","","Christidis, P. C.; Rentzeperis, P. J.","The crystal structure of rhombohedral Fe2(SO4)3 Sample: synthetic","Zeitschrift fur Kristallographie","1976","144","","341","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008259","6.113","","16.188","","6.111","","90","","96.71","","90","","600.585","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Christite","- As Hg S3 Tl -","- As Hg S3 Tl -","- As4 Hg4 S12 Tl4 -","4","1","","Brown, K. L.; Dickson, F. W.","The crystal structure of synthetic christite, HgTlAsS3","Zeitschrift fur Kristallographie","1976","144","","367","376","10.1524/zkri.1976.144.1-6.367","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008260","5.09","","15.829","","5.386","","90","","103.26","","90","","422.379","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Clinohedrite","- Ca H2 O5 Si Zn -","- Ca H2 O5 Si Zn -","- Ca4 H8 O20 Si4 Zn4 -","4","1","","Venetopoulos, C. C.; Rentzeperis, P. J.","Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O","Zeitschrift fur Kristallographie","1976","144","","377","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""