# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:04:20+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Solid State Chemistry') AND volume = 254 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
"1560353","5.67715","0.00026","5.67715","","8.0495","0.0007","90","","90","","90","","259.44","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.19 N0.23 Nb0.81 O2.77 Sr -","- Li0.191 N0.234 Nb0.809 O2.766 Sr -","- Li0.764 N0.936 Nb3.236 O11.064 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates","261917","2021-02-12","14:26:39",""
"1560354","5.71841","0.00028","5.71841","","8.1222","0.0007","90","","90","","90","","265.6","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- N0.18 Na0.2 Nb0.8 O2.82 Sr -","- N0.183 Na0.196 Nb0.804 O2.817 Sr -","- N0.732 Na0.784 Nb3.216 O11.268 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates","261918","2021-02-12","14:28:09",""
"1560355","5.67651","0.00025","5.67651","","8.0758","0.0006","90","","90","","90","","260.22","0.02","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Mg0.22 N0.4 Nb0.78 O2.6 Sr -","- Mg0.216 N0.401 Nb0.784 O2.599 Sr -","- Mg0.864 N1.604 Nb3.136 O10.396 Sr4 -","4","0.125","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","261919","2021-02-12","14:30:16",""
"1560356","4.115489","0.000035","4.115489","","4.115489","","90","","90","","90","","69.7051","0.0006","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Li0.19 N0.2 Nb0.81 O2.8 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","- Ba Li0.188 N0.198 Nb0.812 O2.802 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates","261920","2021-02-12","14:31:25",""
"1560357","4.14577","0.00007","4.14577","","4.14577","","90","","90","","90","","71.255","0.0012","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba N0.25 Na0.21 Nb0.79 O2.75 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","- Ba N0.246 Na0.209 Nb0.791 O2.754 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","261921","2021-02-12","14:32:36",""
"1560358","4.11972","0.00004","4.11972","","4.11972","","90","","90","","90","","69.9203","0.0007","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Mg0.19 N0.47 Nb0.81 O2.53 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","- Ba Mg0.192 N0.471 Nb0.808 O2.529 -","1","0.0208333","","Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il","Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)","Journal of Solid State Chemistry","2017","254","","1","8","10.1016/j.jssc.2017.07.006","powder diffraction","","","","","","","","","","","","","1.37","","","","","","","has coordinates","261922","2021-02-12","14:33:40",""
"1560359","14.4985","0.0005","12.2421","0.0004","23.766","0.0005","90","","90","","90","","4218.3","0.2","173","0.1","173","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H17 Cl2 Mn N3 O6 -","- C18 H17 Cl2 Mn N3 O6 -","- C144 H136 Cl16 Mn8 N24 O48 -","8","1","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.1124","0.0847","","","0.2238","0.2486","","","","","","1.08","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560360","20.267","0.002","13.5379","0.0012","7.4103","0.0007","90","","90","","90","","2033.2","0.3","173","0.1","173","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H21 Mn N3 O5 -","- C20 H21 Mn N3 O5 -","- C80 H84 Mn4 N12 O20 -","4","0.5","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.115","0.0935","","","0.2353","0.2548","","","","","","1.066","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560361","14.698","0.003","7.051","0.002","10.823","0.002","90","0.03","95.04","0.03","90","0.03","1117.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 Co N2 O18 U -","- C14 H22 Co N2 O18 U -","- C28 H44 Co2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0303","0.0264","","","0.0518","0.053","","","","","","1.09","","","","has coordinates,has disorder","261924","2021-02-12","14:49:50",""
"1560362","14.785","0.005","6.982","0.002","10.879","0.003","90","","96.501","0.015","90","","1115.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Cu N2 O18 U -","- C14 H14 Cu N2 O18 U -","- C28 H28 Cu2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0549","0.0477","","","0.1149","0.1184","","","","","","1.035","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560363","14.678","0.005","7.0489","0.0019","10.906","0.003","90","","94.647","0.013","90","","1124.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 Fe N2 O18 U -","- C14 H14 Fe N2 O18 U -","- C28 H28 Fe2 N4 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0441","0.0376","","","0.0949","0.1022","","","","","","1.136","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560364","14.711","0.004","7.0599","0.0017","10.773","0.003","90","","94.95","0.014","90","","1114.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 Ni O18 U -","- C14 H14 N2 Ni O18 U -","- C28 H28 N4 Ni2 O36 U2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0318","0.0309","","","0.0797","0.0803","","","","","","1.112","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560365","14.751","0.017","7.149","0.007","10.905","0.01","90","","94.82","0.06","90","","1146","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H14 N2 O18 U Zn -","- C14 H14 N2 O18 U Zn -","- C28 H28 N4 O36 U2 Zn2 -","2","0.25","","Jayasinghe, Ashini S.; Payne, Maurice K.; Forbes, Tori Z.","Synthesis and characterization of heterometallic uranyl pyridinedicarboxylate compounds","Journal of Solid State Chemistry","2017","254","","25","31","10.1016/j.jssc.2017.07.002","","","0.71073","MoKα","","0.0849","0.0494","","","0.0995","0.1149","","","","","","1.055","","","","has coordinates,has disorder","261924","2021-02-12","14:50:02",""
"1560375","8.6968","0.0006","19.9327","0.0013","12.2232","0.0008","90","","98.958","0.002","90","","2093.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 O4 Sb -","- C24 H21 O4 Sb -","- C96 H84 O16 Sb4 -","4","1","","Fukin, Georgy K.; Samsonov, Maxim A.; Arapova, Alla V.; Mazur, Anton S.; Artamonova, Tatiana O.; Khodorkovskiy, Mikhail A.; Vasilyev, Aleksander V.","Experimental and theoretical distribution of electron density and thermopolimerization in crystals of Ph 3 Sb(O 2 CCH=CH 2 ) 2 complex","Journal of Solid State Chemistry","2017","254","","32","39","10.1016/j.jssc.2017.06.030","","","0.71073","MoKα","","0.0388","0.0388","","","0.0328","0.0331","","","","","","0.997","","","","has coordinates","261956","2021-02-15","09:37:39",""
"1560376","10.0301","0.0005","10.0301","0.0005","10.0301","0.0005","90","","90","","90","","1009.06","0.09","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ca F0.6147 N0.4619 -","- Ca F0.612932 N0.462345 -","- Ca32 F19.6138 N14.795 -","32","0.166667","","Al-Azzawi, Mohanad; Zeller, Matthias; Li, Dingqiang; Wagner, Timothy R.","Crystal chemistry of ordered rocksalt-type Ca 2 NF","Journal of Solid State Chemistry","2017","254","","126","131","10.1016/j.jssc.2017.07.017","","","0.71073","MoKα","","0.0294","0.0293","","","0.0675","0.0675","","","","","","1.347","","","","has coordinates","261957","2021-02-15","10:00:26",""
"1560377","15.2153","0.0005","9.4589","0.0003","8.9097","0.0003","90","","108.058","0.0009","90","","1219.12","0.07","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C6 H28 Cl Ga3 N6 O16 P4 -","- C6 H28 Cl Ga3 N6 O16 P4 -","- C12 H56 Cl2 Ga6 N12 O32 P8 -","2","0.5","","Gao, Fan; Huang, Liangliang; Ma, Yike; Jiao, Shufei; Jiang, Yansong; Bi, Yanfeng","Ionothermal synthesis, characterization of a new layered gallium phosphate with an unusual heptamer SBU","Journal of Solid State Chemistry","2017","254","","155","159","10.1016/j.jssc.2017.07.010","","","0.71073","MoKα","","0.0461","0.0336","","","0.051","0.0531","","","","","","1.062","","","","has coordinates","261958","2021-02-15","10:05:01",""
"1560378","19.618","0.004","7.3868","0.0015","7.4564","0.0015","90","","102.561","0.009","90","","1054.7","0.4","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F3.24 H2.76 K Ni3 O10.76 P3 -","- F12.96 H11.04 K4 Ni12 O43.04 P12 -","4","0.5","","Liu, Li-Chen; Ren, Wei-Jian; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Canted antiferromagnetism in KNi 3 [PO 3 (F,OH)] 2 [PO 2 (OH) 2 ]F 2 with a stair-case Kagomé lattice","Journal of Solid State Chemistry","2017","254","","160","165","10.1016/j.jssc.2017.07.011","","","0.71073","MoKα","","0.0437","0.0388","","","0.0934","0.0972","","","","","","1.002","","","","has coordinates","261959","2021-02-15","10:10:22",""