# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:47:23+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 m 2' 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
"1001478","10.612","0.001","10.612","0.001","6.384","0.001","90","","90","","90","","718.9","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium sodium niobium phosphate * - $-beta","","- K2 Na1.73 Nb8 O34 P5 -","- K2 Na1.73 Nb8 O34 P5 -","- K2 Na1.73 Nb8 O34 P5 -","1","0.125","","Benabbas, A; Borel, M M; Grandin, A; Chardon, J; Leclaire, A; Raveau, B","The niobium phosphate bronze $-beta-K~2~Na~2-x~Nb~8~P~5~O~34~, second form of the first member of the series (K~3~Nb~6~P~4~O~26~)~n~KNb~2~PO~8~","Journal of Solid State Chemistry","1991","91","","323","330","10.1016/0022-4596(91)90087-X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001535","10.6604","0.0008","10.6604","0.0008","6.4434","0.0004","90","","90","","90","","732.3","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Barium rubidium tecto-octaniobopentaphosphate (0.84/3/1)","","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","- Ba0.84 Nb8 O34 P5 Rb3 -","1","0.125","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Structure of Ba~0.84~Rb~3~Nb~8~P~5~O~34~","Acta Crystallographica C (39,1983-)","1992","48","","2066","2067","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001541","10.605","0.0009","10.605","0.0009","6.4099","0.0005","90","","90","","90","","720.9","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium silicophosphate *","","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","1","0.125","","Leclaire, A; Borel, M M; Chardon, J; Grandin, A; Raveau, B","A niobium silicophosphate belonging to the niobium phosphate bronzeseries: K~4~Nb~8~P~4~SiO~34~","Acta Crystallographica C (39,1983-)","1992","48","","1744","1747","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001732","10.6265","0.0008","10.6265","0.0008","6.4092","0.0009","90","","90","","90","","723.7","","","","","","","","","","","","","5","P -4 m 2","P -4 -2","115","","Potassium niobium tungsten phosphorus phosphate(V) oxide (3.73/8.41/0.12/0.47/4/18)","","- K3.73 Nb8.41 O34 P4.47 W0.12 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","- K3.73 Nb8.406 O34 P4.47 W0.124 -","1","0.125","","Leclaire, A; Borel, M-M; Mezaoui, D; Rebbah, H; Raveau, B","Introduction of tungsten in the niobium phosphate bronzes: the monophosphate K3.75 Nb8-x Wx O14 (P O4)4 (P0.5 Nb0.5 O4)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1996","323","","679","685","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510024","7.2373","","7.2373","","14.7973","","90","","90","","90","","775.061","","","","","","","","","","","","","4","P -4 m 2","P -4 -2","115","","Ag3 (U O2)7 (V O4)5 O","","- Ag3 O35 U7 V5 -","- Ag3 O35 U7 V5 -","- Ag3 O35 U7 V5 -","1","0.125","","Obbade, S.; Abraham, F.; Renard, C.","New open-framework in the uranyl vanadates A3 (U O2)7 (V O4)5 O (A = Li, Ag) with intergrowth structure between A (U O2)4 (V O4)3 and A2 (U O2)3 (V O4)2 O","Journal of Solid State Chemistry","2009","182","","413","420","10.1016/j.jssc.2008.10.019","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1526570","3.652","","3.652","","5.436","","90","","90","","90","","72.5","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Li3 Na3 N2","","- Li3 N2 Na3 -","- Li3 N2 Na3 -","- Li3 N2 Na3 -","1","0.125","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","147770","2020-10-21","18:00:00",""
"1526687","3.9238","","3.9238","","8.6445","","90","","90","","90","","133.093","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Ti2 Cu Sb3","","- Cu Sb3 Ti2 -","- Cu Sb3 Ti2 -","- Cu Sb3 Ti2 -","1","0.125","","Koblyuk, N.D.; Bodak, O.I.; Melnyk, G.A.; Fruchart, D.; Romaka, L.P.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526689","3.9404","","3.9404","","8.6971","","90","","90","","90","","135.038","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Zr2 Cu Sb3","","- Cu Sb3 Zr2 -","- Cu Sb3 Zr2 -","- Cu Sb3 Zr2 -","1","0.125","","Koblyuk, N.D.; Melnyk, G.A.; Romaka, L.P.; Fruchart, D.; Bodak, O.I.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526691","3.9216","","3.9216","","8.5947","","90","","90","","90","","132.177","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Hf2 Cu Sb3","","- Cu Hf2 Sb3 -","- Cu Hf2 Sb3 -","- Cu Hf2 Sb3 -","1","0.125","","Koblyuk, N.D.; Melnyk, G.A.; Romaka, L.P.; Bodak, O.I.; Fruchart, D.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528766","7.2794","","7.2794","","14.514","","90","","90","","90","","769.092","","","","","","","","","","","","","4","P -4 m 2","P -4 -2","115","","Li3 (U O2)7 (V O4)5 O","","- Li3 O35 U7 V5 -","- Li3 O35 U7 V5 -","- Li3 O35 U7 V5 -","1","0.125","","Obbade, S.; Renard, C.; Abraham, F.","New open-framework in the uranyl vanadates A3 (U O2)7 (V O4)5 O (A = Li, Ag) with intergrowth structure between A (U O2)4 (V O4)3 and A2 (U O2)3 (V O4)2 O","Journal of Solid State Chemistry","2009","182","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","151420","2020-10-21","18:00:00",""
"1534188","4.35","","4.35","","4.49","","90","","90","","90","","84.962","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Ba.726 Bi1.261 O2.65","","- Ba0.726 Bi1.261 O2.65 -","- Ba0.726 Bi1.274 O2.649 -","- Ba0.726 Bi1.274 O2.649 -","1","0.125","","Aurivillius, B.","An X-ray investigation of the systems Ca O - Bi2 O3, Sr O - Bi2 O3, and Ba O - Bi2 O3 - O. (Mixed oxides with a defect oxygen lattice)","Arkiv foer Kemi, Mineralogi och Geologi, A","1943","16","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","160699","2020-10-21","18:00:00",""
"1535102","7.239","","7.239","","20.026","","90","","90","","90","","1049.43","","","","","","","","","","","","","4","P -4 m 2","P -4 -2","115","","Cs Sb (Ge O4) O","","- Cs Ge O5 Sb -","- Cs Ge O5 Sb -","- Cs8 Ge8 O40 Sb8 -","8","1","","Belokoneva, E.L.; Mill', B.V.; Butashin, A.V.","Crystal structure of CsSbGeO5, a new germanate with ring radical (Ge4O12).","Zhurnal Neorganicheskoi Khimii","1992","37","","2435","2442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537011","5.599","","5.599","","23.657","","90","","90","","90","","741.619","","","","","","","","","","","","","2","P -4 m 2","P -4 -2","115","","Al Al1.67 O4","","- Al2.67 O4 -","- Al2.666 O4 -","- Al31.992 O48 -","12","1.5","","Repelin, Y.; Husson, E.","Etudes structurales d'alumines de transition. I - Alumines gamma et delta","Materials Research Bulletin","1990","25","","611","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","164960","2020-10-21","18:00:00",""
"1571218","11.1145","0.001","11.1145","0.001","9.6132","0.0012","90","","90","","90","","1187.5","0.2","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","1.54178","CuKα","","0.05","0.0439","","","0.111","0.1189","","","","","","1.104","","","","has coordinates,has disorder","291579","2024-05-05","01:55:07",""
"1571219","11.1145","0.0006","11.1145","0.0006","9.5867","0.0007","90","","90","","90","","1184.27","0.13","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8.1 H18.2 B10 Cu N O4 -","- C8.1 H18.2 B10 Cu N O4 -","- C16.2 H36.4 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.0559","0.0474","","","0.1143","0.1231","","","","","","1.144","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571220","11.0892","0.0015","11.0892","0.0015","9.581","0.0014","90","","90","","90","","1178.2","0.3","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8 H17 B10 Cu N O4 -","- C8 H17 B10 Cu N O4 -","- C16 H34 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.1199","0.0853","","","0.209","0.2396","","","","","","1.081","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571221","11.1131","0.0011","11.1131","0.0011","9.6111","0.0012","90","","90","","90","","1187","0.2","293.15","","293.15","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.069","0.0539","","","0.1468","0.1701","","","","","","1.214","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571503","5.7502","0.0002","5.7502","0.0002","10.2521","0.0007","90","","90","","90","","338.98","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0103","0.0102","","","0.0236","0.0236","","","","","","1.119","","","","has coordinates","292872","2024-07-05","14:09:36",""
"1571504","5.7439","0.0003","5.7439","0.0003","10.2541","0.0007","90","","90","","90","","338.31","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","KBa3Hf2F14Cl","","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0139","0.0134","","","0.0292","0.0293","","","","","","1.091","","","","has coordinates","292872","2024-07-05","14:09:38",""
"2000504","10.605","0.0009","10.605","0.0009","6.4099","0.0005","90","","90","","90","","720.9","0.1","","","","","","","","","","","","5","P -4 m 2","P -4 -2","","","","","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","- K4 Nb8 O34 P4 Si -","1","0.125","DU0309","Leclaire, A.; Borel, M. M.; Chardon, J.; Grandin, A.; Raveau, B.","A niobium silicophosphate belonging to the niobium phosphate bronze series: K~4~Nb~8~P~4~SiO~34~","Acta Crystallographica Section C","1992","48","10","1744","1747","10.1107/S0108270192002129","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019750","4.1389","0.0004","4.1389","0.0004","7.1055","0.0011","90","","90","","90","","121.72","0.03","293","2","293","2","","","","","","","","3","P -4 m 2","P -4 -2","115","","dilithium diboron carbide","","- C B2 Li2 -","- C B2 Li2 -","- C2 B4 Li4 -","2","0.25","FN3184","Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut","A new tetragonal structure type for Li~2~B~2~C","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025510","","","0.71073","MoKα","","0.0236","0.0172","","","0.0466","0.057","","","","","","1.444","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2106759","8.7863","","8.7863","","6.1667","","90","","90","","90","","476.063","","","","","","","","","","","","","2","P -4 m 2","P -4 -2","115","","","","- Hg I2 -","- Hg I2 -","- Hg4 I8 -","4","0.5","","Hostettler, M.; Birkedal, H.; Schwarzenbach, D.","The structure of orange Hg I2. I. Polytypic layer structure","Acta Crystallographica B (39,1983-)","2002","58","","903","913","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4502229","9.824","0.002","9.824","0.002","6.536","0.002","90","","90","","90","","630.8","0.3","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- C3.25 Cd0.13 Li0.13 N0 O -","- C3.25 Cd0.125 Li0.125 O -","- C26 Cd Li O8 -","8","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0372","0.0372","","","0.0927","0.0927","","","","","","1.01","","","","has coordinates","179553","2020-10-21","18:00:00",""
"7025954","22.308","0.002","22.308","0.002","28.918","0.004","90","","90","","90","","14391","3","120","2","120","2","","","","","","","","4","P -4 m 2","P -4 -2","115","U30","","","- Li Mg4 O239 U30 -","- Li Mg4 O239 U30 -","- Li2 Mg8 O478 U60 -","2","0.25","","Unruh, Daniel K.; Burtner, Alicia; Pressprich, Laura; Sigmon, Ginger E.; Burns, Peter C.","Uranyl peroxide closed clusters containing topological squares.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5807","5813","10.1039/c0dt00074d","","","0.71073","MoKα","","0.0758","0.0511","","","0.1306","0.1438","","","","","","1.184","","","","has coordinates","179965","2020-10-21","18:00:00",""
"9004107","7.603","","7.603","","5.358","","90","","90","","90","","309.722","","","","","","","","","","","","","4","P -4 m 2","P -4 -2","115","","","Mawsonite","- Cu6 Fe2 S8 Sn -","- Cu6 Fe2 S8 Sn -","- Cu6 Fe2 S8 Sn -","1","0.125","","Szymanski, J. T.","The crystal structure of mawsonite, Cu6Fe2SnS8","The Canadian Mineralogist","1976","14","","529","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""