# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T02:20:09+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n m m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1544429","3.7718","0.0002","3.7718","0.0002","12.0829","0.0006","90","","90","","90","","171.897","0.015","","","","","","","","","","","","4","P 4/n m m","P 4ab 2ab -1ab","129","LiLaTiO4","","","- La Li O4 Ti -","- La Li O4 Ti -","- La2 Li2 O8 Ti2 -","2","","","Toda, K.; Kurita, S.; Sato, M.","New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4","Journal of the Ceramic Society of Japan","1996","104","","140","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","187735","2020-10-21","18:00:00",""
"2009556","3.6974","0.0009","3.6974","0.0009","9.508","0.002","90","","90","","90","","129.98","0.05","295","","","","","","","","","","","3","P 4/n m m","-P 4a 2a","","","","","- Si Te Zr -","- Si Te Zr -","- Si2 Te2 Zr2 -","2","","SE1027","Bensch, W.; Dürichen, P.","Structure of the layer compound ZrSiTe","Acta Crystallographica Section C","1994","50","3","346","348","10.1107/S0108270193008303","","","0.7107","MoKα","","","","","","","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2242611","10.3198","0.0002","10.3198","0.0002","7.3684","0.0001","90","","90","","90","","784.72","0.02","301","2","301","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","titanium bismuth suboxide","Titanium bismuth oxide (8/9/0.25)","","- Bi9 O0.25 Ti8 -","- Bi9 O0.25 Ti8 -","- Bi18 O0.5 Ti16 -","2","","","Yamane, Hisanori; Hiraka, Keita","Crystal structure of Ti~8~Bi~9~O~0.25~ containing interstitial oxygen atoms","Acta Crystallographica Section E","2018","74","9","1366","1368","10.1107/S205698901801188X","","","0.71073","MoKα","","0.0208","0.0201","","","0.0439","0.0441","","","","","","1.361","","","","has coordinates,has Fobs","210133","2020-10-21","18:00:00",""
"4338533","4.8526","0.0001","4.8526","0.0001","11.2904","0.0004","90","","90","","90","","265.863","0.012","296","2","296","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.52 Ba Sn2.48 -","- Au1.522 Ba Sn2.478 -","- Au3.044 Ba2 Sn4.956 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0195","0.0181","","","0.0484","0.0495","","","","","","1.193","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338534","4.7995","0.0001","4.7995","0.0001","11.2738","0.0003","90","","90","","90","","259.694","0.01","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.77 Ba Sn2.23 -","- Au1.774 Ba Sn2.226 -","- Au3.548 Ba2 Sn4.452 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0233","0.021","","","0.0443","0.045","","","","","","1.17","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338535","4.7974","0.0008","4.7974","0.0008","11.2763","0.0019","90","","90","","90","","259.52","0.08","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.81 Ba Sn2.19 -","- Au1.817 Ba Sn2.183 -","- Au3.634 Ba2 Sn4.366 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.026","0.0235","","","0.0515","0.0526","","","","","","1.057","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338536","4.7935","0.0006","4.7935","0.0006","11.213","0.003","90","","90","","90","","257.65","0.08","273","2","273","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au2 Ba Sn2 -","- Au2 Ba Sn2 -","- Au4 Ba2 Sn4 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0243","0.0206","","","0.0468","0.0482","","","","","","1.039","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338537","4.7683","0.0008","4.7683","0.0008","11.154","0.002","90","","90","","90","","253.6","0.08","296","2","296","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au2.17 Ba Sn1.83 -","- Au2.164 Ba Sn1.836 -","- Au4.328 Ba2 Sn3.672 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0286","0.0248","","","0.0551","0.0567","","","","","","1.136","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4342085","4.018","0.0014","4.018","0.0014","13.534","0.003","90","","90","","90","","218.5","0.12","296","2","296","2","","","","","","","","5","P 4/n m m","-P 4a 2a","129","","","","- Bi F0.5 O0.5 S2 Sm -","- Bi F0.5 O0.5 S2 Sm -","- Bi2 F O S4 Sm2 -","2","","","Thakur, Gohil Singh; Selvan, Ganesan Kalai; Haque, Zeba; Gupta, Laxmi Chand; Samal, Saroj Lochan; Arumugam, Sonachalam; Ganguli, Ashok Kumar","Synthesis and Properties of SmO0.5F0.5BiS2 and Enhancement in Tc in La1-ySmyO0.5F0.5BiS2.","Inorganic chemistry","2015","54","3","1076","1081","10.1021/ic5023938","","","0.71073","MoKα","","0.0662","0.053","","","0.1143","0.1203","","","","","","1.172","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4345680","3.1942","0.001","3.1942","0.001","8.054","0.002","90","","90","","90","","82.17","0.04","300","2","300","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Ga Re Si -","- Ga Re Si -","- Ga2 Re2 Si2 -","2","","","Xie, Weiwei; Gustin, Lea; Bian, Guang","111-Type Semiconductor ReGaSi Follows 14e(-) Rules.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00309","","","0.71073","MoKα","","0.0379","0.0371","","","0.0879","0.0887","","","","","","1.249","","","","has coordinates","195386","2020-10-21","18:00:00",""
"4514175","18.906","0.0006","18.906","0.0006","13.6216","0.0008","90","","90","","90","","4868.9","0.4","373.01","0.1","373.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H15 Cu2 O8 -","- C25 H14.5 Cu2 O8 -","- C100 H58 Cu8 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.1468","0.0665","","","0.1536","0.1916","","","","","","0.982","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514176","18.8441","0.0005","18.8441","0.0005","13.4252","0.0006","90","","90","","90","","4767.3","0.3","290.91","0.1","290.91","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H19 Cu2 O10 -","- C25 H15 Cu2 O10 -","- C100 H60 Cu8 O40 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.0977","0.0752","","","0.2399","0.2681","","","","","","0.99","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514177","18.9911","0.001","18.9911","0.001","13.4276","0.0013","90","","90","","90","","4842.8","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C100 H168.96 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","1","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1392","0.0903","","","0.2557","0.2974","","","","","","1.028","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514178","18.917","0.0005","18.917","0.0005","13.5692","0.0005","90","","90","","90","","4855.8","0.3","99.97","0.1","99.97","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H26.2 Cu2 O13.6 -","- C25 H14.5 Cu2 O13.6 -","- C100 H58 Cu8 O54.4 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1317","0.0967","","","0.3107","0.342","","","","","","1.269","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514179","18.8487","0.0002","18.8487","0.0002","13.8659","0.0003","90","","90","","90","","4926.19","0.13","100","2","100","2","","","","","","","","5","P 4/n m m","-P 4a 2a","129","","","","- C40 H27 Cu2 N2.5 O8 -","- C40 H27 Cu2 N2.5 O8 -","- C160 H108 Cu8 N10 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.0901","0.0797","","","0.2487","0.2594","","","","","","0.967","","","","has coordinates","200217","2020-10-21","18:00:00",""
"5900027","6.22","","6.22","","7.377","","90","","90","","90","","285.4","","","","293","","","","","","","","","4","P 4/n m m","","129","","Trimethylamine hydrogen chloride","","- C3 H10 Cl N -","- Cl -","- Cl2 -","2","","","King, M. V.; Lipscomb, W. N.","The structures of the n-propylammonium halides at room temperature","Acta Crystallographica","1950","3","3","222","227","10.1107/S0365110X50000550","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000083","3.77","","3.77","","12.076","","90","","90","","90","","171.63","","","","","","","","","","","","","4","P 4/n m m","","","","","","- La Li O4 Ti -","","","","","","Thangadurai, V.; Shukla, A. K.; Gopalakrishnan, J.; Joubert, O.; Brohan, L.; Tournoux, M.","X-ray powder diffraction study of LiLnTiO~4~ (Ln = La, Nd): a lithium-ion conductor","Materials Science Forum","2000","","","965","970","10.4028/www.scientific.net/MSF.321-324.965","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"6000084","3.7465","","3.7465","","11.895","","90","","90","","90","","166.96","","","","","","","","","","","","","4","P 4/n m m","","","","","","- Li Nd O4 Ti -","","","","","","Thangadurai, V.; Shukla, A. K.; Gopalakrishnan, J.; Joubert, O.; Brohan, L.; Tournoux, M.","X-ray powder diffraction study of LiLnTiO~4~ (Ln = La, Nd): a lithium-ion conductor","Materials Science Forum","2000","","","965","970","10.4028/www.scientific.net/MSF.321-324.965","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"6000433","11.2327","","11.2327","","7.8754","","90","","90","","90","","993.67","","","","","","","","","","","","","4","P 4/n m m","","","","","","- B10 Nd3 Ni29 Si4 -","","","","","","Zhang, H.; Wu, E.; Campbell, S. J.; Kennedy, S. J.; Li, H. S.; Studer, A. J.; Bulcock, S. R.; Rae, A. D.","Structural study of the rare-earth transition-metal intermetallic compound Nd3N29Si4B10","Journal of Alloys and Compounds","1998","278","","239","245","10.1016/S0925-8388(98)00596-9","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000686","3.859","","3.859","","9.7161","","90","","90","","90","","144.69","","","","","","","","","","","","","3","P 4/n m m","","","","","","- N O4 Y -","","","","","","Pelloquin, D.; Louer, M.; Louer, D.","Powder diffraction studies in the YONO3-Y2O3 system","Journal of Solid State Chemistry","1994","112","","182","188","10.1006/jssc.1994.1284","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000723","4.1279","","4.1279","","8.3816","","90","","90","","90","","142.82","","","","","","","","","","","","","3","P 4/n m m","","","","","","- Ba Hf N2 -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Slaski, M.; Siddons, D. J.","Synthesis, structure, and magnetic properties of the new ternary nitride BaHfN2 and of the BaHf1-xZrxN2 solid solution","Journal of Solid State Chemistry","1998","137","","62","70","10.1006/jssc.1997.7686","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7042459","9.6799","0.0006","9.6799","0.0006","12.5073","0.0009","90","","90","","90","","1171.94","0.13","293","2","293","2","","","","","","","","6","P 4/n m m","-P 4a 2a","129","","","","- Br2 Cu5 H16 O24 P4 Sr2 -","- Br2 Cu5 H16 O24 P4 Sr2 -","- Br4 Cu10 H32 O48 P8 Sr4 -","2","","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai","Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4461","4466","10.1039/c7dt00046d","","","0.71073","MoKα","","0.0269","0.024","","","0.0517","0.0527","","","","","","1.004","","","","has coordinates","195077","2020-10-21","18:00:00",""
"7049413","4.1239","0.0006","4.1239","0.0006","8.459","0.0017","90","","90","","90","","143.86","0.04","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Eu P Sn -","- Eu P Sn -","- Eu2 P2 Sn2 -","2","","","Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei","Enhanced Néel Temperature in EuSnP under Pressure","Dalton Transactions","2019","","","","","10.1039/C9DT00449A","","","0.4335","synchrotron","","0.0264","0.0264","","","0.0699","0.0699","","","","","","1.348","","","","has coordinates","214296","2020-10-21","18:00:00",""
"7049414","4.2229","0.0006","4.2229","0.0006","8.6314","0.0017","90","","90","","90","","153.92","0.04","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Eu P Sn -","- Eu P Sn -","- Eu2 P2 Sn2 -","2","","","Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei","Enhanced Néel Temperature in EuSnP under Pressure","Dalton Transactions","2019","","","","","10.1039/C9DT00449A","","","0.4335","synchrotron","","0.0544","0.0544","","","0.1666","0.1666","","","","","","1.315","","","","has coordinates","214297","2020-10-21","18:00:00",""
"7229824","18.6509","0.0014","18.6509","0.0014","12.2593","0.0019","90","","90","","90","","4264.5","0.8","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C56 H88 Cu8 I8 N8 O64 Tb8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0803","0.0694","","","0.2145","0.2222","","","","","","1.063","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229825","18.529","0.004","18.529","0.004","12.303","0.002","90","","90","","90","","4223.9","1.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C56 H88 Cu8 I8 N8 O64 Y8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0631","0.0537","","","0.1746","0.1808","","","","","","1.005","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229826","18.621","0.0009","18.621","0.0009","12.3194","0.0012","90","","90","","90","","4271.6","0.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C56 H88 Cu8 Eu8 I8 N8 O64 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0768","0.0697","","","0.2167","0.2223","","","","","","1.061","","","","has coordinates","204556","2020-10-21","18:00:00",""