# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-03T18:42:13+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n m c :1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1010063","4.357","0.004","4.357","0.004","12.36","0.01","90","","90","","90","","234.6","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","MERCURY DIIODIDE","","- Hg I2 -","- Hg I2 -","- Hg2 I4 -","2","0.125","","Bijvoet, J M; Claassen, A; Karssen, A","The crystal structure of red mercuric iodide","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1926","29","","529","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010287","8.097","0.02","8.097","0.02","11.45","0.03","90","","90","","90","","750.7","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zinc phosphide","","- P2 Zn3 -","- P2 Zn3 -","- P16 Zn24 -","8","0.5","","Stackelberg, M von; Paulus, R","Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums. Das Zn~3~ P~2~ - Gitter.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","427","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010643","4.357","","4.357","","12.36","","90","","90","","90","","234.6","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Mercury iodide","","- Hg I2 -","- Hg I2 -","- Hg2 I4 -","2","0.125","","Claassen, A F P J","De kristalstructuur van rood mercuri-iodide. Onderzoekingen over verstrooiende vermogens in het bijzonder van zuurstof","Thesis, Univ. Amsterdam","1926","1926","","1","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011349","8.316","0.02","8.316","","11.76","0.03","90","","90","","90","","813.3","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zinc arsenide","","- As2 Zn3 -","- As2 Zn3 -","- As16 Zn24 -","8","0.5","","Stackelberg, M von; Paulus, R","Untersuchungen an den Phosphiden und Arseniden des Zinks und Cadmiums. Das Zn3 P3 - Gitter","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1935","28","","427","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511507","5.308","","5.308","","7.403","","90","","90","","90","","208.579","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Rh4 Y B4","","- B4 Rh4 Y -","- B4 Rh4 Y -","- B8 Rh8 Y2 -","2","0.125","","Misra, S.K.; Postma, H.","Low-temperature ordered states of R Rh4 B4, (R= rare earth) due to dipole-dipole and exchange interactions","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1984","30","","1285","1293","10.1103/PhysRevB.30.1285","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511508","5.308","","5.308","","7.403","","90","","90","","90","","208.579","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Y Rh4 B4","","- B4 Rh4 Y -","- B4 Rh4 Y -","- B8 Rh8 Y2 -","2","0.125","","Vandenberg, J.M.; Matthias, B.T.","Crystallography of new ternary borides","Proceedings of the National Academy of Sciences, U.S.A.","1977","74","","1336","1337","10.1073/pnas.74.4.1336","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511598","5.059","","5.059","","7.063","","90","","90","","90","","180.767","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Ce Co4 B4","","- B4 Ce Co4 -","- B4 Ce Co4 -","- B8 Ce2 Co8 -","2","0.125","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","Crystal structure of the compound Ce Co4 B4 and its analogs","Soviet Physics, Crystallography (= Kristallografiya)","1972","16","","897","898","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521474","3.6162","","3.6162","","5.1576","","90","","90","","90","","67.445","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","((Zr O2)0.95 (Y2 O3)0.05)0.952","","- O1.9516 Y0.0952 Zr0.9044 -","- O1.952 Y0.096 Zr0.904 -","- O3.904 Y0.192 Zr1.808 -","2","0.125","","Lamas, D.G.; Walsoe de Reca, N.E.","X-ray diffraction study of compositionally homogeneous, nanocrystalline yttria-doped zirconia powders","Journal of Materials Science","2000","35","","5563","5567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521475","3.6251","","3.6251","","5.1401","","90","","90","","90","","67.548","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","((Zr O2)0.93 (Y2 O3)0.07)0.935","","- O1.93545 Y0.1309 Zr0.86955 -","- O1.934 Y0.13 Zr0.87 -","- O3.868 Y0.26 Zr1.74 -","2","0.125","","Lamas, D.G.; Walsoe de Reca, N.E.","X-ray diffraction study of compositionally homogeneous, nanocrystalline yttria-doped zirconia powders","Journal of Materials Science","2000","35","","5563","5567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521476","3.6297","","3.6297","","5.1394","","90","","90","","90","","67.71","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","((Zr O2)0.89 (Y2 O3)0.11)0.901","","- O1.90111 Y0.19822 Zr0.80189 -","- O1.9 Y0.198 Zr0.802 -","- O3.8 Y0.396 Zr1.604 -","2","0.125","","Lamas, D.G.; Walsoe de Reca, N.E.","X-ray diffraction study of compositionally homogeneous, nanocrystalline yttria-doped zirconia powders","Journal of Materials Science","2000","35","","5563","5567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521477","3.6325","","3.6325","","5.1426","","90","","90","","90","","67.857","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","((Zr O2)0.88 (Y2 O3)0.12)0.893","","- O1.89316 Y0.21432 Zr0.78584 -","- O1.892 Y0.214 Zr0.786 -","- O3.784 Y0.428 Zr1.572 -","2","0.125","","Lamas, D.G.; Walsoe de Reca, N.E.","X-ray diffraction study of compositionally homogeneous, nanocrystalline yttria-doped zirconia powders","Journal of Materials Science","2000","35","","5563","5567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525705","3.5781","","3.5781","","5.1623","","90","","90","","90","","66.092","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Bouvier, P.; Dianoux, A.J.; Djurado, E.; Lucazeau, G.; Ritter, C.","Low temperature phase transformation of nanocrystalline tetragonal Zr O2 by neutron and Raman scattering studies","International Journal of Inorganic Materials","2001","3","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526427","3.612","","3.612","","5.212","","90","","90","","90","","67.999","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Igawa, N.; Ishii, Y.","Crystal structure of metastable tetragonal zirconia up to 1473 K","Journal of the American Ceramic Society","2001","84","","1169","1171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527945","9.92","","9.92","","12.5","","90","","90","","90","","1230.08","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Nd4 W3 O15","","- Nd4 O15 W3 -","- Nd4 O15 W3 -","- Nd16 O60 W12 -","4","0.25","","Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V.","The structure of Nd4 W3 O15","Kristallografiya","1970","15","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529100","3.64","","3.64","","5.27","","90","","90","","90","","69.825","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Zr.900 Sc.100 O1.950","","- O1.95 Sc0.1 Zr0.9 -","- O1.95 Sc0.1 Zr0.9 -","- O3.9 Sc0.2 Zr1.8 -","2","0.125","","Barker, W.W.; Garrett, W.; Bailey, F.P.","A High-Temperature Neutron Diffraction Study of Pure and Scandia-Stabilized Zirconia","Journal of Solid State Chemistry","1973","7","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539650","9.98","","9.98","","7.485","","90","","90","","90","","745.509","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","","","- Eu2 Ni8 Si3 -","- Eu2 Ni8 Si3 -","- Eu8 Ni32 Si12 -","4","0.25","","Belan, B.D.; Bel'skii, V.K.; Pecharskii, V.K.; Bodak, O.I.; Zhuk, T.V.","Crystal structure of europium nickel silicide (Eu2 Ni8 Si3)","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1986","48","","65","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540416","3.63249","0.00005","3.63249","0.00005","5.22879","0.00009","90","","90","","90","","68.9938","0.0018","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Zr0.85 Ce0.15 O2","","- Ce0.15 O2 Zr0.85 -","- Ce0.15 O2 Zr0.85 -","- Ce0.3 O4 Zr1.7 -","2","0.125","","Yashima, M.; Hirose, T.; Katano, S.; Suzuki, Y.; Kakihana, M.; Yoshimura, M.","Structural changes of ZrO~2~-CeO~2~ solid solutions around the monoclinic-tetragonal phase boundary","Physical Review B","1995","51","13","8434","8437","10.1103/PhysRevB.51.8018","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541068","4.361","","4.361","","12.45","","90","","90","","90","","236.778","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","","- Hg I2 -","- Hg I2 -","- Hg2 I4 -","2","0.125","","Turner, D.E.; Harmon, B.N.","Electronic structure of red mercuric iodide","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1989","40","","10516","10522","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542740","3.627","0.0001","3.627","0.0001","5.2336","0.0003","90","","90","","90","","68.849","0.005","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Zirconium cerium(IV) oxide (0.9/0.1/2)","","- Ce0.12 O2 Zr0.88 -","- Ce0.18 O2 Zr0.82 -","- Ce0.36 O4 Zr1.64 -","2","0.125","","Wang, X.-L.; Hubbard, C.R.; Alexander, K.B.; Becher, P.F.","Neutron diffraction measurements of the residual stresses in Al2O3 - ZrO2 (CeO2) ceramic composites","Journal of the American Ceramic Society","1994","77","","1569","1575","10.1111/j.1151-2916.1994.tb09758.x","","","","","","","","","","","","","","","","","","","","","has coordinates","178021","2020-10-21","18:00:00",""
"2002996","7.5355","0.0009","7.5355","0.0009","10.991","0.0014","90","","90","","90","","624.11","0.14","223","2","223","2","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","Tetramethylammonium Sulfate","","- C8 H24 N2 O4 S -","- C8 H24 N2 O4 S -","- C16 H48 N4 O8 S2 -","2","0.125","JZ2003","Malchus, Michael; Jansen, Martin","Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate","Acta Crystallographica, Section B","1998","54","4","494","502","10.1107/S0108768197018351","","","0.7107","MoKα","","0.0407","0.0364","","0.0921","0.0888","","","","1.174","1.194","1.194","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2005004","7.7451","0.0007","7.7451","0.0007","5.6351","0.0006","90","","90","","90","","338.03","0.06","295","2","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","","","- Bi7.5 O12 Y0.5 -","- Bi8 O12 -","- Bi8 O12 -","1","0.0625","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.041","","","","","","","","","","","","","","has coordinates","209442","2020-10-21","18:00:00",""
"2100389","3.58651","0.00008","3.58651","0.00008","5.16658","0.00008","90","","90","","90","","66.46","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","","?","- M2 O3.936 -","- M2 O3.936 -","","","OG5013","Yashima, Masatomo; Tsunekawa, Shin","Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles","Acta Crystallographica, Section B","2006","62","1","161","164","10.1107/S0108768105030570","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102839","3.7191","0.0002","3.7191","0.0002","5.3057","0.0004","90","","90","","90","","73.387","0.008","296","0.1","296","0.1","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102840","3.7286","0.0002","3.7286","0.0002","5.3215","0.0004","90","","90","","90","","73.982","0.008","507","3","507","3","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102841","3.7386","0.0003","3.7386","0.0003","5.3381","0.0004","90","","90","","90","","74.611","0.01","772","2","772","2","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102842","3.7503","0.0003","3.7503","0.0003","5.3564","0.0005","90","","90","","90","","75.336","0.011","1034","3","1034","3","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102843","3.764","0.0003","3.764","0.0003","5.3745","0.0005","90","","90","","90","","76.144","0.011","1291","3","1291","3","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102844","3.7781","0.0004","3.7781","0.0004","5.3833","0.0007","90","","90","","90","","76.841","0.015","1542","2","1542","2","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","cerium zirconiuim oxide","cerium zirconiuim oxide","","- Ce0.5 O2 Zr0.5 -","- Ce0.4943 Hf0.0035 O2 Zr0.5022 -","- Ce0.9886 Hf0.007 O4 Zr1.0044 -","2","0.125","OG5020","Wakita, Takahiro; Yashima, Masatomo","<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study","Acta Crystallographica Section B","2007","63","3","384","389","10.1107/S0108768107007720","","neutron","1.8143","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106030","9.693","","9.693","","11.306","","90","","90","","90","","1062.25","","","","","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","Cs4 (P O2 N H)4 (H2 O)6","","- Cs4 H16 N4 O14 P4 -","- Cs4 N4 O14 P4 -","- Cs8 N8 O28 P8 -","2","0.125","","Berking, B.; Mootz, D.","Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107284","8.6439","0.00003","8.6439","0.00003","12.50773","0.00008","90","","90","","90","","934.54","0.008","17","","17","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.354 P1.65 S12 Si1.35 -","- Li20.708 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107285","8.68385","0.00005","8.68385","0.00005","12.55589","0.0001","90","","90","","90","","946.83","0.011","300","","300","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.354 P1.65 S12 Si1.35 -","- Li20.708 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107286","8.76517","0.00005","8.76517","0.00005","12.67003","0.00012","90","","90","","90","","973.416","0.012","800","","800","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.348 P1.65 S12 Si1.35 -","- Li20.696 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107287","8.70054","0.00003","8.70054","0.00003","12.6861","0.00008","90","","90","","90","","960.33","0.008","12","","12","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.806 P2.19 S12 Sn0.81 -","- Li19.612 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107288","8.73764","0.00003","8.73764","0.00003","12.7166","0.00007","90","","90","","90","","970.866","0.007","300","","300","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.808 P2.19 S12 Sn0.81 -","- Li19.616 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107289","8.81049","0.00003","8.81049","0.00003","12.79398","0.00007","90","","90","","90","","993.129","0.007","800","","800","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.804 P2.19 S12 Sn0.81 -","- Li19.608 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2300546","8.115","","8.115","","8.115","","90","","90","","90","","534.399","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","V N.81","","- N0.81 V -","- N0.8125 V -","- N26 V32 -","32","2","","Onozuka, T.","Vacancy Ordering in V N1-x","Journal of Applied Crystallography","1978","11","","132","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300611","3.64195","0.00007","3.64195","0.00007","5.24403","0.00009","90","","90","","90","","69.556","0.002","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","Ceria stabilized tetragonal zirconia","","","- Ce0.12 O2 Zr0.82 -","- Ce0.18 O2 Zr0.82 -","- Ce0.36 O4 Zr1.64 -","2","0.125","","Lutterotti, L.; Scardi, P.","Simultaneous Structure and Size-Strain Refinement by the Rietveld Method","Journal of Applied Crystallography","1990","23","","246","252","10.1107/S0021889890002382","","","","","","0.0654","","","","","","","","","","","","","","","has coordinates","178020","2020-10-21","18:00:00",""
"2300612","3.5961","0.0002","3.5961","0.0002","5.177","0.0004","90","","90","","90","","66.949","0.007","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","tetragonal zirconia","","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Lutterotti, L.; Scardi, P.","Simultaneous Structure and Size-Strain Refinement by the Rietveld Method","Journal of Applied Crystallography","1990","23","","246","252","10.1107/S0021889890002382","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","178049","2020-10-21","18:00:00",""
"4124316","8.559","","8.559","","6.017","","90","","90","","90","","440.784","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Np (B H4)4","","- B4 H16 Np -","- B4 H16 Np -","- B8 H32 Np2 -","2","0.125","","Banks, R.H.; Templeton, D.H.; Edelstein, N.M.; Spencer, B.; Zalkin, A.","Volatility and molecular structure of neptunium(IV) borohydride","Journal of the American Chemical Society","1980","102","","620","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342795","4.03195","0.000004","4.03195","0.000004","18.5485","0.00003","90","","90","","90","","301.536","0.0006","293","","298","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Cd Ce2 O2 Se2 -","- Cd Ce2 O2 Se2 -","- Cd2 Ce4 O4 Se4 -","2","0.125","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","294984","2024-10-02","07:45:41",""
"7215190","8.652","0.003","8.652","0.003","12.582","0.004","90","","90","","90","","941.9","0.6","273","2","100","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li9.992 P2 S12 -","- Ge2 Li19.984 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0514","0.0355","","","0.088","0.1056","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215191","8.719","0.003","8.719","0.003","12.639","0.004","90","","90","","90","","960.8","0.6","273","2","298","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li10.028 P2 S12 -","- Ge2 Li20.056 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0616","0.0455","","","0.1118","0.1299","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7248500","7.62801","0.00013","7.62801","0.00013","11.63","0.0003","90","","90","","90","","676.71","0.02","295","","295","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","","","- C8 H24 O4 P2 S -","- C8 H24 O4 P2 S -","- C16 H48 O8 P4 S2 -","2","0.125","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.0387","0.0349","","0.0428","0.0423","","","","1.67","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"8103829","3.7","","3.7","","10.67","","90","","90","","90","","146.072","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zn Cl2","","- Cl2 Zn -","- Cl2 Zn -","- Cl4 Zn2 -","2","0.125","","Brehler, B.","Kristallstrukturuntersuchungen an Zn Cl2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1961","115","","373","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008995","8.09","","8.09","","5.45","","90","","90","","90","","356.692","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","","- B Cl -","- B Cl -","- B8 Cl8 -","8","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009215","6.27","","6.27","","5.79","","90","","90","","90","","227.622","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","","Ice","- H2 O -","- H2 O -","- H24 O12 -","12","0.75","","Kamb, B.","Structure of ice VI","Science","1965","150","","205","209","10.1126/science.150.3693.205","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""