# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T14:59:16+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 m :R' 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
"1010310","5.44","0.01","5.44","0.01","5.44","0.01","38.37","0.07","38.37","0.07","38.37","0.07","55.7","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Sodium isocyanate","","- C N Na O -","- C N Na O -","- C N Na O -","1","0.166667","","Bassiere, M","Sur la structure de l'isocyanate de sodium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1938","206","","1309","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010596","4.403","0.003","4.403","0.003","4.403","0.003","86","0.1","86","0.1","86","0.1","84.8","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","Potassium bromate","","- Br K O3 -","- Br K O3 -","- Br K O3 -","1","0.166667","","Zachariasen, W H","Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO~3~","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011038","5.64","","5.64","","5.64","","116.6","","116.6","","116.6","","84","","","","","","","","","","","","from Wissen, river Sieg, Germany","2","R 3 m :R","P 3* -2","160","","Nickel sulfide","Millerite","- Ni S -","- Ni S -","- Ni3 S3 -","3","0.5","","Alsen, N","Roentgenographische Untersuchungen der Kristallstrukturen von Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten Verbindungen","Geologiska Foereningens i Stockholm Foerhandlingar","1925","47","","19","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011272","6.82","","6.82","","6.82","","61.47","","61.47","","61.47","","231.7","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","Strontium trialuminium heptahydroxide diphosphate","Goyazite","- Al3 H7 O14 P2 Sr -","","","1","0.166667","","Gossner, B","Ueber Sulfate und Phosphate mit aehnlichem Kristallgitter","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1937","96","","488","492","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1100049","7.805","","7.805","","7.805","","109.127","","109.127","","109.127","","370.6","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Al8 Cr5 -","- Al8 Cr5 -","- Al16 Cr10 -","2","0.333333","","A. J. Bradley; S. S. Lu","The Crystal Structures of Cr~2~Al and Cr~2~Al~8~","Z. Kristallogr. A","1937","96","1","20","37","10.1524/zkri.1937.96.1.20","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1100050","7.811","","7.811","","7.811","","109.13","","109.13","","109.13","","371.42","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Al16 Cr9.5 -","- Al15.9999 Cr9.5001 -","- Al15.9999 Cr9.5001 -","1","0.166667","","Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.","γ-Brasses with R cells","Acta Crystallographica Section B","1977","33","4","1088","1095","10.1107/S0567740877005433","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1521252","4.0123","","4.0123","","4.0123","","89.98","","89.98","","89.98","","64.592","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb ((Fe Nb) O6)0.5","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","1","0.166667","","Ivanov, S.A.; Tellgren, R.; Thomas, N.W.; Rundlof, H.; Ananta, S.","Investigation of the structure of the relaxor ferroelectric Pb (Fe1/2 Nb1/2) O3 by neutron diffraction","Journal of Physics: Condensed Matter","2000","12","","2393","2400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525596","8.15157","","8.15157","","8.15157","","89.881","","89.881","","89.881","","541.653","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb2 (Sc Ta O6)","","- O6 Pb2 Sc Ta -","- O6 Pb2 Sc1.001 Ta1.001 -","- O6 Pb2 Sc1.001 Ta1.001 -","1","0.166667","","Baba-Kishi, K.Z.; Knight, K.; Woodward, P.M.","The crystal structures of Pb2 Sc Ta O6 and Pb2 Sc Nb O6 in the paraelectric and ferroelectric states","Ferroelectrics","2001","261","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529841","5.265","","5.265","","5.265","","90.09","","90.09","","90.09","","145.946","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","(C (N H2)3) (B F4)","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C H6 B F4 N3 -","1","0.166667","","de Kozak, A.; Grottel, M.; Pajak, Z.; Koziol, A.E.","An X-ray and NMR cross-relaxation study of structure and ion motions in C (N H2)3 B F4","Journal of Physics C","1987","20","","5433","5447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531970","4.273","","4.273","","4.273","","85.2","","85.2","","85.2","","77.241","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","K Cl O3","","- Cl K O3 -","- Cl K O3 -","- Cl K O3 -","1","0.166667","","Pistorius, C.W.F.T.","Lattice constants of the high-pressure phase K Cl O3 (II)","Journal of Chemical Physics","1972","56","","6263","6264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532104","7.762","","7.762","","7.762","","88.81","","88.81","","88.81","","467.352","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Ag4 (Ge7 O16) (D2 O)5.7","","- Ag4 D11.4 Ge7 O21.7 -","- Ag4 D11.4 Ge7 O21.7 -","- Ag4 D11.4 Ge7 O21.7 -","1","0.166667","","Roberts, M.A.; Fitch, A.N.","The crystal structures of Ag4 Ge7 O16 * 6(D2 O) and Na3 (N D4) Ge7 O16 * (D2 O) refined from high resolution synchrotron radiation and neutron powder diffraction data","Journal of Physics and Chemistry of Solids","1991","52","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532105","7.769","","7.769","","7.769","","88.77","","88.77","","88.77","","468.597","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","Na3 (N D4)0.96 (Ge7 O16) (D2 O)5.92","","- D15.68 Ge7 N0.96 Na3 O21.92 -","- D15.67 Ge7 N0.958 Na3 O21.919 -","- D15.67 Ge7 N0.958 Na3 O21.919 -","1","0.166667","","Roberts, M.A.; Fitch, A.N.","The crystal structures of Ag4 Ge7 O16 * 6(D2 O) and Na3 (N D4) Ge7 O16 * (D2 O) refined from high resolution synchrotron radiation and neutron powder diffraction data","Journal of Physics and Chemistry of Solids","1991","52","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535108","9.477","","9.477","","9.477","","113.9","","113.9","","113.9","","520.938","","","","","","","","","","","","","11","R 3 m :R","P 3* -2","160","","(Na0.85 Ca0.05) (Al1.10 Li1.15 Fe0.41 Mn0.21 Mg0.12) Al6 B3 Si6 O27 (O H)3.92","","- Al7.1 B3 Ca0.05 Fe0.41 H3.92 Li1.15 Mg0.12 Mn0.21 Na0.85 O30.92 Si6 -","- Al7.11 B3 Ca0.05 Fe0.42 Li1.14 Mg0.12 Mn0.21 Na0.85 O30.9 Si6 -","- Al7.11 B3 Ca0.05 Fe0.42 Li1.14 Mg0.12 Mn0.21 Na0.85 O30.9 Si6 -","1","0.166667","","Belokoneva, E.L.; Tsirel'son, V.G.","Electron density distribution and specific features of chemical bonding in turmaline-elbaite according to accurate X-ray diffraction data","Zhurnal Neorganicheskoi Khimii","1993","38","","1351","1358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537749","5.499","","5.499","","5.499","","38.72","","38.72","","38.72","","58.48","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","Na N3","","- N3 Na -","- N3 Na -","- N3 Na -","1","0.166667","","Bassiere, M.","Structure cristalline des azotures. La constitution de l'anion azothydrique","Memorial des Services Chimiques de l'Etat","1943","30","","33","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538393","4.07","","4.07","","4.07","","89.65","","89.65","","89.65","","67.415","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb (Zr0.58 Ti0.42) O3","","- O3 Pb Ti0.42 Zr0.58 -","- O3 Pb Ti0.42 Zr0.58 -","- O3 Pb Ti0.42 Zr0.58 -","1","0.166667","","Michel, C.; Moreau, J.M.; Achenbach, G.D.; Gerson, R.; James, W.J.","Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr Ti) O3 solid solution series","Solid State Communications","1969","7","","865","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538656","5.64","","5.64","","5.64","","116.62","","116.62","","116.62","","83.723","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","","","- Ni S -","- Ni S -","- Ni3 S3 -","3","0.5","","Lundqvist, D.","X-ray studies in the binary system Ni-S","Arkiv foer Kemi, Mineralogi och Geologi","1947","24","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539089","4.498","","4.498","","4.498","","73.93","","73.93","","73.93","","82.032","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","K (N O3)","","- K N O3 -","- K N O3 -","- K N O3 -","1","0.166667","","Shinnaka, Y.","X-ray study on the disordered structure above the ferroelectric curie point in potassium nitrate","Journal of the Physical Society of Japan","1962","17","","820","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1551317","6.36","0.002","6.36","0.002","6.36","0.002","89.912","0.003","89.912","0.003","89.912","0.003","257.26","0.14","350","","350","","","","","","","","","5","R 3 m :R","P 3* -2","160","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C6.9993 N0.9999 O4.0002 Re -","- C6.9993 N0.9999 O4.0002 Re -","1","0.166667","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0255","0.0255","","","0.0624","0.0624","","","","","","1.154","","","","has coordinates","215814","2020-10-21","18:00:00",""
"1560386","4.0809","0.0004","4.0809","0.0004","4.0809","0.0004","89.676","0.003","89.676","0.003","89.676","0.003","67.959","0.012","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- O3 Pb Ti0.4 Zr0.6 -","- O3 Pb Ti0.4 Zr0.6 -","- O3 Pb Ti0.4 Zr0.6 -","1","0.166667","","Amin, A.; Newnham, R. E.; Cross, L. E.; Cox, D. E.","Phenomenological and structural study of a low-temperature phase transition in the Pb Zr O3 - Pb Ti O3 system","Journal of Solid State Chemistry","1981","37","","248","255","10.1016/0022-4596(81)90091-8","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"2015348","4.06048","0.00006","4.06048","","4.06048","","89.8693","0.0004","89.8693","","89.8693","","66.9466","0.001","4.2","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.611 O3 Pb Zn0.389 -","- Nb0.611 O3 Pb Zn0.389 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","2.48","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015349","4.0624","0.00008","4.0624","","4.0624","","89.9226","0.0005","89.9226","","89.9226","","67.042","0.0013","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2103181","5.8847","","5.8847","","5.8847","","104.09","","104.09","","104.09","","181.512","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane-7-oxide","","- C6 H12 N3 O P -","- C6 H12 N3 O P -","- C6 H12 N3 O P -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103182","6.0482","","6.0482","","6.0482","","100.9","","100.9","","100.9","","207.455","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane-7-sulfide","","- C6 H12 N3 P S -","- C6 H12 N3 P S -","- C6 H12 N3 P S -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103190","6.024","","6.024","","6.024","","105.94","","105.94","","105.94","","187.069","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane","","- C6 H12 N3 P -","- C6 H12 N3 P -","- C6 H12 N3 P -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2106531","4.6721","","4.6721","","4.6721","","85.31","","85.31","","85.31","","101.013","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Cs (H S O3)","","- Cs H O3 S -","- Cs O3 S -","- Cs O3 S -","1","0.166667","","Johansson, L.G.; Lindqvist, O.; Vannerberg, N.G.","The structure of cesium hydrogensulfite","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2523","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310414","8.52","","8.52","","8.52","","22.54","","22.54","","22.54","","79.718","","","","","","","","","","","","","2","R 3 m :R","P 3* -2","160","","Al4 C3","","- C3 Al4 -","- C3 Al4 -","- C3 Al4 -","1","0.166667","","Jeffrey, G.A.; Wu, V.Y.","The structures of the aluminum carbonitrides. II","Acta Crystallographica (1,1948-23,1967)","1966","20","","538","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4128704","6.1776","0.0007","6.1776","0.0007","6.1776","0.0007","89.846","0.001","89.846","0.001","89.846","0.001","235.75","0.05","300","","300","","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C6 H12 N O4 Re -","- C6 H12.0001 N O4 Re -","- C6 H12.0001 N O4 Re -","1","0.166667","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0168","0.0168","","","0.0415","0.0415","","","","","","1.171","","","","has coordinates,has disorder","221780","2020-10-21","18:00:00",""
"4326757","9.4687","0.001","9.4687","0.001","9.4687","0.001","98.201","0.01","98.201","0.01","98.201","0.01","820.06","0.16","115","2","115","2","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C30 H43 K O6 Si2 -","- C30 H43 K O6 Si2 -","- C30 H43 K O6 Si2 -","1","0.166667","","David J. Wolstenholme; Paul D. Prince; G. Sean McGrady; Michael J. Landry; Jonathan W. Steed","Structure and Bonding of KSiH3 and Its 18-Crown-6 Derivatives: Unusual Ambidentate Behavior of the SiH3- Anion","Inorganic Chemistry","2011","50","","11222","11227","10.1021/ic201774x","","","0.71073","MoKα","","0.0493","0.0378","","","0.0935","0.0966","","","","","","1.093","","","","has coordinates","179370","2020-10-21","18:00:00",""
"6000528","7.769","0.006","7.769","0.006","7.769","0.006","88.77","0.05","88.77","0.05","88.77","0.05","468.6","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- D16 Ge7 N Na3 O22 -","- D15.6658 Ge7 N0.958 Na3 O21.9199 -","- D15.6658 Ge7 N0.958 Na3 O21.9199 -","1","0.166667","","Roberts, M. A.; Fitch, A. N.","The crystal-structures of Ag~4~Ge~7~O~16~·6D~2~O and Na~3~(ND~4~)Ge~7~O~16~·6D~2~O refined from high-resolution synchrotron radiation and neutron powder diffraction data","Journal of Physics and Chemistry of Solids","1991","52","10","1209","1218","10.1016/0022-3697(91)90195-6","powder diffraction","","","","","","","","","","","","0.039","","","","","","","","has coordinates","208815","2020-10-21","18:00:00",""
"7003171","9.4377","0.0012","9.4377","0.0012","9.4377","0.0012","97.956","0.006","97.956","0.006","97.956","0.006","813.8","0.18","100","2","100","2","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C30 H41 K O6 Si -","- C30 H41 K O6 Si -","- C30 H41 K O6 Si -","1","0.166667","","Prince, Paul D.; Bearpark, Michael J.; McGrady, G. Sean; Steed, Jonathan W.","Hypervalent hydridosilicates: synthesis, structure and hydride bridging","Dalton Transactions","2008","","2","271","282","10.1039/b713427d","","","0.71073","MoKα","","0.0379","0.033","","","0.0697","0.0705","","","","","","1.132","","","","has coordinates","179735","2020-10-21","18:00:00",""
"8104192","7.1537","","7.1537","","7.1537","","60.572","","60.572","","60.572","","262.212","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","1","0.166667","","Francois, M.; Yvon, K.; Alexandrov, O.V.; Gougeon, P.; Ben Yaich-Aerrache, H.; Potel, M.; Sergent, M.","Structural phase transition in Ga Mo4 Se8 and Al Mo4 S8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104195","6.85","","6.85","","6.85","","60.374","","60.374","","60.374","","229.2","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","","","- Al Mo4 S8 -","- Al Mo4 S8 -","- Al Mo4 S8 -","1","0.166667","","Francois, M.; Ben Yaich-Aerrache, H.; Alexandrov, O.V.; Yvon, K.; Potel, M.; Gougeon, P.; Sergent, M.","Structural phase transition in Ga Mo4 Se8 and Al Mo4S 8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9000296","4.846","","4.846","","4.846","","91.8","","91.8","","91.8","","113.63","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","Kogarkoite","- F Na3 O4 S -","- F Na3 O4 S -","- F Na3 O4 S -","1","0.166667","","Pabst, A.; Sharp, W. N.","Kogarkoite, a new natural phase in the system Na2SO4 - NaF - NaCl","American Mineralogist","1973","58","","116","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9011055","6.7","","6.7","","6.7","","33.53","","33.53","","33.53","","81.736","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","Bornite","- Cu1.25 Fe0.25 S -","- Cu1.2498 Fe0.2502 S -","- Cu2.4996 Fe0.5004 S2 -","2","0.333333","","Morimoto, N.","Structures of two polymorphic forms of Cu5FeS4 Sample: metastable, twin process","Acta Crystallographica","1964","17","","351","360","10.1107/S0365110X64000846","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011432","5.9967","","5.9967","","5.9967","","105.87","","105.87","","105.87","","184.847","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","Ellisite","- As S3 Tl3 -","- As S3 Tl3 -","- As S3 Tl3 -","1","0.166667","","Gostojic, M.","Die kristallstruktur von synthetischem ellisit, Tl3AsS3 Note: anisob's corrected to match reported Biso's","Zeitschrift fur Kristallographie","1980","151","","249","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012535","9.4024","","9.4024","","9.4024","","90.425","","90.425","","90.425","","831.151","","","","","","","","","","","","Synthetic","2","R 3 m :R","P 3* -2","160","","","Belendorffite","- Cu7 Hg6 -","- Cu7 Hg6 -","- Cu14 Hg12 -","2","0.333333","","Lindahl, T.; Westman, S.","The structure of the rhombohedral gamma brass like phase in the copper-mercury system Locality: synthetic","Acta Chemica Scandinavica","1969","23","","1181","1190","10.3891/acta.chem.scand.23-1181","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014074","4.0043","","4.0043","","4.0043","","89.855","","89.855","","89.855","","64.206","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 180 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014179","4.0057","","4.0057","","4.0057","","89.846","","89.846","","89.846","","64.273","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 150 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014230","4.0036","","4.0036","","4.0036","","89.84","","89.84","","89.84","","64.172","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 20 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014743","4.0036","","4.0036","","4.0036","","89.839","","89.839","","89.839","","64.172","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 15 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014756","4.0041","","4.0041","","4.0041","","89.852","","89.852","","89.852","","64.196","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 170 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015236","4.00385","","4.00385","","4.00385","","89.843","","89.843","","89.843","","64.184","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 130 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015616","4.0035","","4.0035","","4.0035","","89.843","","89.843","","89.843","","64.167","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 40 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016152","4.0042","","4.0042","","4.0042","","89.837","","89.837","","89.837","","64.201","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 70 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016624","4.0042","","4.0042","","4.0042","","89.836","","89.836","","89.836","","64.201","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","","","","Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.","Structures of the ferroelectric phases of barium titanate Note: T = 100 K","Journal of Physical Chemistry","1993","97","","2368","2377","10.1021/j100112a043","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""