# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:06:07+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 'Acta Crystallographica, Section B') AND volume = 74 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
"2021078","35.549","0.004","21.056","0.002","36.869","0.004","90","","115.485","0.002","90","","24912","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22 -","- C251.382 H217.125 Cl0.2 F6.0002 Fe6 N11.6486 O22.0002 -","- C1005.53 H868.5 Cl0.8 F24.0008 Fe24 N46.5944 O88.0008 -","4","1","","Becker, Sabine","The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder?","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","2","","","10.1107/S2052520618000689","","","0.71073","MoKα","","0.1298","0.0741","","","0.1815","0.2283","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","207155","2020-10-21","18:00:00",""
"2021914","4.101","0.002","11.892","0.007","13.092","0.008","93.491","0.009","97.769","0.01","90.28","0.01","631.4","0.6","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","","0.71073","MoKα","","0.0509","0.0443","","","0.1155","0.1218","","","","","","1.049","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021915","4.7832","0.0007","11.6783","0.0017","21.859","0.003","90","","93.999","0.002","90","","1218.1","0.3","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0583","0.0489","","","0.1233","0.131","","","","","","1.075","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021916","9.9374","0.0005","14.3212","0.0006","18.2929","0.0011","72.196","0.004","81.185","0.005","82.068","0.004","2437.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","2","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","1.54184","CuKα","","0.0617","0.0482","","","0.1233","0.1346","","","","","","1.039","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021917","8.881","0.002","6.0754","0.0016","11.995","0.003","90","","91.021","0.004","90","","647.1","0.3","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0645","0.0499","","","0.1161","0.1256","","","","","","1.041","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021918","11.9565","0.001","5.7973","0.0005","20.2355","0.0016","90","","96.805","0.001","90","","1392.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0463","0.0372","","","0.0961","0.1025","","","","","","1.032","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021924","28.7121","0.0003","28.7121","0.0003","28.7121","0.0003","90","","90","","90","","23669.8","0.4","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C18 H33 Eu5 O18 -","- C18 H33 Eu5 O18 -","- C576 H1056 Eu160 O576 -","32","0.333333","","Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel","Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","6","592","","10.1107/S2052520618012982","powder diffraction","","0.776651","Synchrotron","","","","","","","","","0.076","68.1","","","","","","","has coordinates","246245","2020-10-21","18:00:00",""
"2108155","5.6052","0.0003","8.5753","0.0004","22.881","0.001","90","","90","","90","","1099.8","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay","X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal","Acta Crystallographica Section B","2018","74","1","12","23","10.1107/S2052520617013038","","","0.71073","MoKα","","0.1038","0.0542","","","0.0912","0.1127","","","","","","1.042","","","","has coordinates","206143","2020-10-21","18:00:00",""
"2108156","2.93172","0.00016","11.8414","0.0006","8.6047","0.0004","90","","90","","90","","298.72","0.03","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","cesbronite","","","- Cu3 H4 O8 Te -","- Cu2.982 O8 Te1.018 -","- Cu5.964 O16 Te2.036 -","2","0.125","","Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J.","The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology","Acta Crystallographica Section B","2018","74","1","24","31","10.1107/S205252061701647X","","","0.71073","MoKα","","0.0436","0.0321","","","0.0663","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","206144","2020-10-21","18:00:00",""
"2108157","6.912","0.005","6.993","0.005","9.656","0.005","101.858","0.005","102.627","0.005","100.669","0.005","432.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Potassium dimanganese trivanadate","Potassium dimanganese trivanadate","","- K Mn2 O10 V3 -","- K Mn2 O10 V3 -","- K2 Mn4 O20 V6 -","2","1","","Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander","A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section B","2018","74","1","97","103","10.1107/S205252061701811X","","","0.71073","MoKα","","0.0272","0.024","","","0.0591","0.0612","","","","","","1.113","","","","has coordinates,has Fobs","206145","2020-10-21","18:00:00",""
"2108210","9.507","0.002","7.9958","0.0017","43.262","0.009","90","","90","","90","","3288.6","1.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C144 H128 Cl8 N24 O16 -","8","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0539","0.0384","","","0.0914","0.106","","","","","","1.123","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108211","9.304","0.004","15.756","0.008","15.829","0.007","94.54","0.02","93.95","0.02","104.56","0.02","2229.4","1.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H54 N6 O13 -","- C49 H54 N6 O13 -","- C98 H108 N12 O26 -","2","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.1404","0.0645","","","0.1493","0.1981","","","","","","1.021","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108212","10.145","0.004","18.472","0.007","9.421","0.003","90","","91.423","0.019","90","","1764.9","1.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N6 O8 -","- C40 H36 N6 O8 -","- C80 H72 N12 O16 -","2","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0882","0.0474","","","0.1088","0.1311","","","","","","1.026","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2108213","7.889","0.004","9.157","0.004","14.832","0.007","86.153","0.019","83.38","0.02","69.517","0.018","996.6","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N6 O8 -","- C44 H44 N6 O8 -","- C44 H44 N6 O8 -","1","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0832","0.049","","","0.1235","0.151","","","","","","1.069","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108214","7.5496","0.0016","16.434","0.004","17.094","0.004","90","","93.547","0.012","90","","2116.8","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N6 O8 -","- C48 H52 N6 O8 -","- C96 H104 N12 O16 -","2","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0977","0.0571","","","0.1368","0.1577","","","","","","1.034","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108215","11.6446","0.0002","11.6446","0.0002","11.6548","0.0002","90","","90","","90","","1580.35","0.05","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Al16 F4.77 Mn24 O91.23 Si20.61 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0387","0.029","","","0.0743","0.0774","","","","","","1.232","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2108216","12.4908","0.0002","12.4908","0.0002","11.9092","0.0002","90","","90","","90","","1858.07","0.05","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0428","0.0432","","","","","","1.209","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2108217","9.5161","0.0001","9.5161","0.0001","7.5441","0.0001","90","","90","","120","","591.638","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B12 Bi0.168 Fe9 O36 Y2.832 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0258","0.0181","","","0.0138","0.014","","","","1.14","1.14","0.98","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108218","9.5191","0.0001","9.5191","0.0001","7.5517","0.0001","90","","90","","120","","592.607","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0535 Fe3 O12 Y0.9465 -","- B12 Bi0.1605 Fe9 O36 Y2.8395 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0505","0.0195","","","0.0125","0.0141","","","","0.85","0.85","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108219","9.5261","0.0001","9.5261","0.0001","7.5589","0.0001","90","","90","","120","","594.045","0.012","350","","350","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0539 Fe3 O12 Y0.9461 -","- B12 Bi0.1617 Fe9 O36 Y2.8383 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0652","0.0197","","","0.0137","0.0159","","","","0.96","0.96","0.7","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108220","9.5194","0.0001","9.5194","0.0001","7.5552","0.0001","90","","90","","120","","592.92","0.012","360","","360","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0584","0.0182","","","0.0136","0.0147","","","","1.01","1.01","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108221","9.5259","0.0001","9.5259","0.0001","7.5624","0.0001","90","","90","","120","","594.295","0.012","365","","365","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0696","0.0179","","","0.0124","0.0146","","","","0.96","0.96","0.68","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108222","9.5245","0.0001","9.5245","0.0001","7.557","0.0001","90","","90","","120","","593.696","0.012","370","","370","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0534 Fe3 O12 Y0.9466 -","- B12 Bi0.1602 Fe9 O36 Y2.8398 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.072","0.0174","","","0.0123","0.0136","","","","0.98","0.98","0.61","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108223","9.5272","0.0001","9.5272","0.0001","7.5618","0.0001","90","","90","","120","","594.41","0.012","375","","375","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0193","0.0166","","","0.0122","0.0124","","","","1.04","1.04","0.99","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108224","9.5265","0.0001","9.5265","0.0001","7.5561","0.0001","90","","90","","120","","593.875","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.051 Fe3 O12 Y0.949 -","- B4 Bi0.0509 Fe3 O12 Y0.9491 -","- B12 Bi0.1527 Fe9 O36 Y2.8473 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0201","0.0173","","","0.0118","0.012","","","","0.95","0.95","0.91","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108225","9.5321","0.0001","9.5321","0.0001","7.5627","0.0001","90","","90","","120","","595.093","0.012","430","","430","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0488 Fe3 O12 Y0.9512 -","- B12 Bi0.1464 Fe9 O36 Y2.8536 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0202","0.017","","","0.0134","0.0136","","","","1.08","1.08","1.01","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108226","9.5394","0.0001","9.5394","0.0001","7.5765","0.0001","90","","90","","120","","597.092","0.012","500","0.2","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0543 Fe3 O12 Y0.9457 -","- B12 Bi0.1629 Fe9 O36 Y2.8371 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0253","0.0194","","","0.0136","0.014","","","","1.04","1.04","0.97","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108227","9.5131","0.0001","9.5131","0.0001","7.5396","0.0001","90","","90","","120","","590.912","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0219","0.0218","","","0.0297","0.0299","","","","1.32","1.32","1.32","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108228","9.5217","0.0001","9.5217","0.0001","7.5547","0.0001","90","","90","","120","","593.167","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B12 Bi0.174 Fe9 O36 Y2.826 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0131","0.013","","","0.0207","0.0209","","","","1.09","1.09","1.1","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108229","9.5282","0.0001","9.5282","0.0001","7.5609","0.0001","90","","90","","120","","594.464","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B12 Bi0.141 Fe9 O36 Y2.859 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.012","0.012","","","0.0173","0.0173","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108230","9.5254","0.0001","9.5254","0.0001","7.5674","0.0001","90","","90","","120","","594.626","0.012","500","","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B12 Bi0.126 Fe9 O36 Y2.874 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0102","0.0102","","","0.0163","0.0163","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108231","5.2475","0.0001","5.2475","0.0001","23.6795","0.0007","90","","90","","120","","564.69","0.02","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C2 H2 O8 Pb3 -","- C2 O8 Pb3.0002 -","- C6 O24 Pb9.0006 -","3","0.0833333","PS5067","Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618000768","","","0.71073","MoKα","","0.0211","0.0208","","","0.0554","0.0557","","","","","","1.178","","","","has coordinates,has Fobs","207152","2020-10-21","18:00:00",""
"2108232","5.257","0.003","5.257","0.003","23.636","0.015","90","","90","","120","","565.7","0.6","296","2","150","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C0.67 H0.67 O2.67 Pb -","- C2 O8 Pb3.0002 -","- C6 O24 Pb9.0006 -","3","0.0833333","","Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618000768","","","0.71073","MoKα","","0.0377","0.0296","","","0.0624","0.0651","","","","","","1.171","","","","has coordinates,has Fobs","207152","2020-10-21","18:00:00",""
"2108233","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0707","0.0633","","","0.2027","0.2123","","","","1.4","1.4","1.4","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108234","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8.0005 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64.004 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0622","0.0553","","","0.1849","0.194","","","","1.28","1.28","1.28","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108235","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0813","0.0751","","","0.254","0.2596","","","","1.95","1.95","1.92","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108236","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8.0005 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64.004 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0736","0.0675","","","0.2388","0.2443","","","","1.83","1.83","1.81","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108237","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0682","0.0604","","","0.2058","0.2158","","","","1.42","1.42","1.42","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108238","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0531","0.046","","","0.1739","0.1836","","","","1.2","1.2","1.21","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108239","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.041","0.0334","","","0.1105","0.114","","","","1.97","1.97","1.8","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108240","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0473","0.0399","","","0.1239","0.1262","","","","2.26","2.26","2.05","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108241","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0361","0.03","","","0.0941","0.0971","","","","1.69","1.69","1.54","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108242","8.1662","0.0001","12.868","0.0001","14.1927","0.0001","93.4772","0.001","116.143","0.001","90.6664","0.0006","1335.14","0.02","100","","100","","","","","","","","Crystal Bay, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.74995 Ca0.75005 Na0.25005 O8 Si2.25005 -","- Al13.9996 Ca6.0004 Na2.0004 O64 Si18.0004 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0295","0.0268","","","0.099","0.1003","","","","2.06","2.06","1.96","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108243","8.172","0.0003","12.8675","0.0002","14.189","0.0001","93.4437","0.0013","116.073","0.002","90.649","0.002","1336.58","0.06","293","","100","","","","","","","","Crystal Bay, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.24995 O8 Si2.25 -","- Al14 Ca6 Na1.9996 O64 Si18 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0295","0.0257","","","0.0913","0.0927","","","","1.78","1.78","1.65","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108244","8.1602","0.0001","12.8612","0.0001","14.1975","0.0001","93.5348","0.0011","116.118","0.0011","90.4334","0.0008","1334.33","0.03","100","","100","","","","","","","","Mexico","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.6 Ca0.6 Na0.4 O8 Si2.4 -","- Al3.866 Ca0.789 O8 -","- Al30.928 Ca6.312 O64 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0497","0.0273","","","0.0804","0.0883","","","","1.63","1.63","1.27","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108245","8.3553","0.0005","15.4882","0.0009","8.8208","0.0006","90","","91.899","0.004","90","","1140.86","0.12","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B4 Er6 O15 -","- B3 Er6 O15 -","- B12 Er24 O60 -","4","1","","Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang","Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618001488","","","0.71073","MoKα","","0.062","0.053","","","0.1288","0.1371","","","","","","1.044","","","","has coordinates,has Fobs","207154","2020-10-21","18:00:00",""
"2108246","13.3772","0.0002","13.3772","0.0002","13.3772","0.0002","90","","90","","90","","2393.84","0.06","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","potassium zinc silicon oxide","","","- K2 O12 Si5 Zn -","- K2 O11.9998 Si4.99968 Zn1.0002 -","- K16 O95.9981 Si39.9974 Zn8.0016 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","8.3117","1.2673","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108247","13.5635","0.0003","13.5635","0.0003","13.5635","0.0003","90","","90","","90","","2495.26","0.1","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","rubidium manganese silicon oxide","","","- Mn O12 Rb2 Si5 -","- Mn1.0002 O11.9998 Rb2 Si4.99968 -","- Mn8.0016 O95.9981 Rb16 Si39.9974 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","8.9738","1.1962","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108248","13.2574","0.0005","13.6739","0.0006","12.924","0.0005","90","","93.048","0.003","90","","2339.55","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium iron silicon oxide","","","- Fe K2 O12 Si5 -","- Fe K2 O12 Si5 -","- Fe8 K16 O96 Si40 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","6.9441","1.3541","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108249","13.1773","0.0002","13.6106","0.0002","13.02481","0.0002","90","","91.6981","0.0009","90","","2334.99","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium zinc silicon oxide","","","- K2 O12 Si5 Zn -","- K2 O12 Si5 Zn -","- K16 O96 Si40 Zn8 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","3.3852","4.1009","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108250","13.18783","0.00014","13.63495","0.00016","12.98764","0.00014","90","","91.9994","0.0008","90","","2333.96","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium cobalt silicon oxide","","","- Co K2 O12 Si5 -","- Co K2 O12 Si5 -","- Co8 K16 O96 Si40 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.79026","CoKα","","","","","","","","","6.6909","2.6259","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108251","13.3767","0.0003","13.3767","0.0003","13.3767","0.0003","90","","90","","90","","2393.57","0.09","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","potassium cobalt silicon oxide","","","- Co K2 O12 Si5 -","- Co1.0002 K2 O11.9998 Si4.99968 -","- Co8.0016 K16 O95.9981 Si39.9974 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.79026","CoKα","","","","","","","","","8.1583","1.1548","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108252","5.4345","0.0012","16.4324","0.0012","5.4558","0.0012","90","","90","","90","","487.21","0.16","296","","296","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","Bismuth tungstate","","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","1","","Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki","Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure","Acta Crystallographica Section B","2018","74","3","295","303","10.1107/S2052520618006133","powder diffraction","","0.71069","Mo-Kα","","","0.0168","","","","0.0204","","","","","","0.5164","","","","has coordinates,has Fobs","208047","2020-10-21","18:00:00",""
"2108253","5.341","0.003","13.536","0.006","21.406","0.008","90","","90","","90","","1547.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Val-L-Leu","(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-4-methyl-pentanoic acid acetonitrile solvate","","- C13 H25 N3 O3 -","- C13 H25 N3 O3 -","- C52 H100 N12 O12 -","4","1","","Görbitz, Carl Henrik","Hydrophobic dipeptides: the final piece in the puzzle","Acta Crystallographica Section B","2018","74","3","311","318","10.1107/S2052520618007151","","","0.71073","MoKα","","0.1615","0.0816","","","0.1576","0.1837","","","","","","1.014","","","","has coordinates,has Fobs","208048","2020-10-21","18:00:00",""
"2108254","54.631","0.003","8.004","0.0002","6.5754","0.0003","90","","90","","90","","2875.2","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,6-tris((E)-2-(4-(dimethylamino)phenyl)ethenyl)-1,3,5-triazine","","- C33 H36 N6 -","- C33 H36 N6 -","- C132 H144 N24 -","4","1","","Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till","Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction","Acta Crystallographica Section B","2018","74","3","287","294","10.1107/S2052520618006686","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.965782","1.2092","","","","","","","has coordinates","208049","2020-10-21","18:00:00",""
"2108255","8.7198","0.0002","20.996","0.008","10.9186","0.0003","90","","94.357","0.002","90","","1993.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pridinol mesylate","1,1-Di\#173;phenyl-3-piperidino-1-propanol, methanesulfonate.","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate","Acta Crystallographica Section B","2018","74","3","304","310","10.1107/S2052520618007023","","","0.71073","MoKα","","0.0652","0.0453","","","0.106","0.1171","","","","","","1.037","","","","has coordinates,has Fobs","208050","2020-10-21","18:00:00",""
"2108256","8.2086","0.0002","17.9355","0.0006","15.0983","0.0005","90","","94.77","0.002","90","","2215.15","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pridinol mesylate hydrate","1,1-Di\#173;phenyl-3-piperidino-1-propanol, methanesulfonate, hydrate.","","- C21 H31 N O5 S -","- C21 H31 N O5 S -","- C84 H124 N4 O20 S4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate","Acta Crystallographica Section B","2018","74","3","304","310","10.1107/S2052520618007023","","","0.71073","MoKα","","0.0737","0.0511","","","0.1163","0.133","","","","","","1.03","","","","has coordinates,has Fobs","208050","2020-10-21","18:00:00",""
"2108257","8.6448","0.0017","9.026","0.0018","10.773","0.002","93.169","0.005","100.097","0.004","99.996","0.004","811.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Fe N2 O7 -","- C14 H15 Fe N2 O7 -","- C28 H30 Fe2 N4 O14 -","2","1","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","","","0.71073","MoKα","","0.0358","0.0299","","","0.0718","0.0752","","","","","","1.049","","","","has coordinates,has Fobs","208648","2020-10-21","18:00:00",""
"2108258","13.2415","0.0013","13.2415","0.0013","14.9977","0.0017","90","","90","","90","","2629.7","0.5","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C48 H40 Fe4 N4 O24 -","- C48 H40 Fe4 N4 O24 -","- C96 H80 Fe8 N8 O48 -","2","0.25","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","powder diffraction","","0.71073","MoKα","","0.0369","0.0294","","","0.0637","0.067","","","","","","1.039","","","","has coordinates,has Fobs","288502","2023-12-22","13:28:23",""
"2108259","14.5961","0.0007","14.7434","0.0008","15.214","0.0008","112.713","0.001","106.08","0.001","105.946","0.001","2619.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Fe4 N4 O24 -","- C48 H40 Fe4 N4 O24 -","- C96 H80 Fe8 N8 O48 -","2","1","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","powder diffraction","","0.71073","MoKα","","0.103","0.0485","","","0.0998","0.1203","","","","","","1.007","","","","has coordinates,has Fobs","208648","2020-10-21","18:00:00",""
"2108260","7.1015","0.0012","11.7489","0.0017","8.1954","0.0014","90","","98.087","0.014","90","","676.98","0.19","295.9","0.7","295.9","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- Cu0.184 F3 H8 Mg0.816 O12 U3 -","- Cu0.184 F3 Mg0.816 O12 U3 -","- Cu0.368 F6 Mg1.632 O24 U6 -","2","0.5","","Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří","Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007321","","x-ray","0.71073","MoKα","","0.0551","0.0369","","","0.0757","0.088","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","208715","2020-10-21","18:00:00",""
"2108261","6.1147","0.0004","7.9668","0.0005","19.4856","0.0013","90","","90","","90","","949.23","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N -","- C12 H13 N -","- C48 H52 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0926","0.0557","","","0.1253","0.1423","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108262","8.7856","0.0008","11.6453","0.001","10.6401","0.0011","90","","90.47","0.004","90","","1088.56","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C52 H56 Br4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.045","0.0403","","","0.0975","0.1002","","","","","","1.08","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108263","23.769","0.004","11.2921","0.0019","8.2022","0.0011","90","","90","","90","","2201.5","0.6","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C104 H112 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0434","0.0386","","","0.0953","0.0968","","","","","","1.368","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108264","9.54","0.0004","6.2063","0.0002","18.8852","0.0008","90","","98.474","0.001","90","","1105.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C52 H56 Br4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0306","0.0244","","","0.0577","0.0602","","","","","","1.11","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108265","8.6883","0.0015","11.7901","0.0019","10.3129","0.0017","90","","90.892","0.005","90","","1056.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C52 H56 Cl4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1067","0.0586","","","0.1263","0.1447","","","","","","1.055","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108266","12.1278","0.0011","8.1084","0.0007","11.2668","0.001","90","","108.995","0.002","90","","1047.61","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C52 H56 Cl4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0484","0.0374","","","0.0925","0.0977","","","","","","1.041","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108267","9.8035","0.0005","22.7092","0.0012","9.9786","0.0006","90","","101.405","0.002","90","","2177.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C104 H112 Cl8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0574","0.0403","","","0.0898","0.0965","","","","","","1.031","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108268","11.9582","0.0011","9.106","0.0009","18.7079","0.0019","90","","90","","90","","2037.1","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 F N -","- C13 H14 F N -","- C104 H112 F8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0493","0.0419","","","0.1074","0.1124","","","","","","1.033","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108269","9.8202","0.0006","22.0098","0.0016","9.8725","0.0007","90","","101.926","0.003","90","","2087.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F N -","- C13 H14 F N -","- C104 H112 F8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0571","0.0463","","","0.119","0.1265","","","","","","1.042","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108270","10.1791","0.0018","8.7625","0.0015","22.946","0.004","90","","90","","90","","2046.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1031","0.049","","","0.112","0.1335","","","","","","1.018","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108271","24.4539","0.0018","6.168","0.0004","16.2352","0.0012","90","","124.277","0.002","90","","2023.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0332","0.0266","","","0.068","0.0712","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108272","10.8001","0.0009","8.8083","0.0007","21.0408","0.0017","90","","90","","90","","2001.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0399","","","0.1013","0.1089","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108273","5.7132","0.0012","8.1116","0.0018","10.878","0.002","90","","96.698","0.008","90","","500.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C24 H24 Cl2 N2 -","2","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0378","0.0327","","","0.0762","0.0779","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108274","24.4577","0.0012","6.0867","0.0003","16.309","0.001","90","","125.8","0.003","90","","1969.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0442","0.0365","","","0.0968","0.1011","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108275","17.4633","0.0007","11.1118","0.0007","9.6718","0.0004","90","","91.282","0.003","90","","1876.33","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F N -","- C12 H12 F N -","- C96 H96 F8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0522","0.0443","","","0.1164","0.1218","","","","","","1.034","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108276","6.1937","0.0006","7.4492","0.0008","19.92","0.002","90","","90","","90","","919.07","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0437","","","0.1035","0.1087","","","","","","1.07","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108277","6.0226","0.0004","7.8459","0.0006","20.1968","0.0014","90","","90","","90","","954.35","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0638","0.0473","","","0.1088","0.1156","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108278","10.5411","0.0011","8.1081","0.0008","21.98","0.002","90","","98.61","0.002","90","","1857.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F N -","- C12 H12 F N -","- C96 H96 F8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0545","0.0457","","","0.1165","0.1215","","","","","","1.045","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108279","9.6268","0.0012","19.292","0.002","24.606","0.003","90","","90","","90","","4569.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N15 O18 -","- C13 H11 N15 O18 -","- C104 H88 N120 O144 -","8","1","LO5028","Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu","High-density HNIW/TNT cocrystal synthesized using a green chemical method","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008442","","","0.71073","MoKα","","0.0429","0.0372","","","0.099","0.1022","","","","","","1.083","","","","has coordinates,has Fobs","209232","2020-10-21","18:00:00",""
"2108280","7.7154","0.0002","5.9019","0.0001","7.6969","0.0002","90","","100.411","0.002","90","","344.712","0.014","100","","100","","","","","","","","Sigma Aldrich","2","P 1 21/a 1","-P 2yab","14","","azulene","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.","Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010120","","","0.7107","MoKα","","0.0526","0.0428","","","","0.0275","","","","","","3.0429","","","","has coordinates,has Fobs","287891","2023-11-30","15:38:08",""
"2108281","13.8822","0.0017","11.6188","0.0014","22.115","0.003","90","","90","","90","","3567","0.8","110","0.2","110","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","","0.71073","MoKα","","0.0308","0.0198","","","0.0402","0.0435","","","","","","1.008","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108282","13.8732","0.0018","11.6316","0.0015","22.124","0.003","90","","90","","90","","3570.1","0.8","125","0.2","125","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0526","0.0419","","","0.0812","0.0837","","","","","","1.263","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108283","13.872","0.018","11.644","0.016","21.96","0.03","90","","90","","90","","3547","8","140","0.2","140","0.2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","2","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0932","0.0863","","","0.2106","0.2137","","","","","","1.132","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108284","14.0011","0.0019","11.6244","0.0016","21.893","0.003","90","","90","","90","","3563.2","0.8","200","0.2","200","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0385","0.0224","","","0.0425","0.0471","","","","","","1.018","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108285","23.238","0.004","7.5293","0.0011","6.2437","0.0009","90","","92.83","0.006","90","","1091.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F3 O -","- C14 H8 F3 O -","- C56 H32 F12 O4 -","4","1","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.0838","0.0424","","","0.0796","0.0925","","","","","","1.046","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108286","11.505","0.001","6.235","0.0006","16.0118","0.0016","90","","109.293","0.006","90","","1084.08","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F3 O -","- C14 H8 F3 O -","- C56 H32 F12 O4 -","4","1","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.0506","0.032","","","0.0768","0.087","","","","","","1.029","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108287","20.5435","0.0012","6.2569","0.0003","35.797","0.002","90","","106.649","0.003","90","","4408.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F6 O2 -","- C28 H16 F6 O2 -","- C224 H128 F48 O16 -","8","2","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.157","0.0581","","","0.1158","0.1503","","","","","","1.022","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108288","3.8682","0.0003","14.9766","0.0009","13.4758","0.0009","90","","90.378","0.006","90","","780.67","0.09","270","0.1","270","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C24 H8 Cl16 -","4","1","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0761","0.0651","","","0.1556","0.1595","","","","","","1.089","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108289","3.79937","0.00012","14.8635","0.0004","13.3272","0.0004","90","","89.674","0.003","90","","752.6","0.04","90","0.1","90","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C24 H8 Cl16 -","4","1","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0562","0.0524","","","0.1302","0.1312","","","","","","1.362","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108290","3.83433","0.00011","23.9377","0.0006","17.2355","0.0004","90","","94.293","0.003","90","","1577.52","0.07","270","0.1","270","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C48 H16 Cl32 -","8","2","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0381","0.0246","","","0.0575","0.0599","","","","","","0.978","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108291","3.76927","0.0001","23.6053","0.0006","17.174","0.0004","90","","94.902","0.002","90","","1522.46","0.07","90","0.1","90","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C48 H16 Cl32 -","8","2","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0229","0.0184","","","0.0462","0.0472","","","","","","1.06","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108292","6.71198","0.00009","13.3641","0.00017","19.5439","0.0003","90","","90","","90","","1753.08","0.04","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 Ca O15 -","- C12 H24 Ca O15 -","- C48 H96 Ca4 O60 -","4","1","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.71073","MoKα","","0.0254","0.0233","","","0.0565","0.0572","","","","","","1.191","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108293","6.7573","0.0004","19.5874","0.001","5.7344","0.001","90","","90","","90","","758.99","0.15","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 Ca O12 -","- C12 H22 Ca O12 -","- C24 H44 Ca2 O24 -","2","0.5","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.7749","Synchrotron","","0.0333","0.0333","","","0.0819","0.0819","","","","","","1.072","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108294","8.4553","0.0014","10.1812","0.0016","13.408","0.002","90","","98.646","0.002","90","","1141.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(4-Hydroxybenzylidene)isonicotinohydrazide","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0677","0.0398","","","0.1017","0.1113","","","","","","1.076","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108295","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108296","10.0223","0.0009","11.1984","0.0003","12.4505","0.001","109.836","0.006","101.25","0.007","97.494","0.006","1259.58","0.17","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","2","LO5039","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.03","0.0285","","","0.0783","0.0795","","","","","","1.046","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108297","15.0197","0.0004","15.0197","0.0004","12.8791","0.0006","90","","90","","90","","2905.41","0.17","297","2","297","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H11 I N4 -","- C15 H11 I N4 -","- C120 H88 I8 N32 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0408","0.0353","","","0.0799","0.083","","","","","","1.058","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108298","14.8761","0.0007","4.0269","0.0002","23.183","0.0012","90","","105.81","0.005","90","","1336.23","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C60 H44 Br4 N16 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0433","0.0384","","","0.1073","0.1112","","","","","","1.079","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108299","9.51859","0.00016","15.70955","0.00019","21.6869","0.0003","90","","98.0651","0.0015","90","","3210.83","0.08","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N4 O -","- C16 H14 Cl2 N4 O -","- C128 H112 Cl16 N32 O8 -","8","2","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0566","0.0526","","","0.1329","0.1361","","","","","","1.016","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108300","18.763","0.003","6.5126","0.0007","10.1237","0.0015","90","","95.458","0.015","90","","1231.5","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br N3 O -","- C13 H10 Br N3 O -","- C52 H40 Br4 N12 O4 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0613","0.0475","","","0.116","0.125","","","","","","1.043","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108301","4.7568","0.0002","19.9611","0.0009","13.4063","0.0006","90","","98.457","0.002","90","","1259.1","0.1","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0346","0.0295","","","0.0755","0.0789","","","","","","1.06","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108302","4.808","0.0009","9.7371","0.0018","27.708","0.005","90","","91.735","0.002","90","","1296.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0337","0.0314","","","0.0765","0.0779","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108303","4.8189","0.0002","9.4501","0.0005","14.0283","0.0007","96.048","0.002","93.4","0.002","93.414","0.002","632.77","0.05","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C28 H18 Cl2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0409","0.0376","","","0.0939","0.0964","","","","","","1.03","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108304","7.7658","0.0006","19.1333","0.0013","8.8369","0.0005","90","","90","","90","","1313.03","0.15","104","2","104","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0557","0.042","","","0.091","0.0962","","","","","","1.038","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108305","25.6147","0.0013","5.3354","0.0003","9.3918","0.0004","90","","96.775","0.002","90","","1274.56","0.11","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0486","0.0397","","","0.1006","0.1063","","","","","","1.053","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108306","5.1563","0.0005","10.7617","0.0012","11.9075","0.0013","99.948","0.006","91.911","0.007","102.379","0.007","633.98","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C28 H18 Cl2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.065","0.0554","","","0.1354","0.1397","","","","","","1.138","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108307","9.445","0.002","15.275","0.004","18.954","0.005","90","","97.374","0.002","90","","2711.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C112 H72 Cl8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.058","0.0446","","","0.103","0.111","","","","","","1.024","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108308","12.8325","0.001","10.3856","0.0008","9.7379","0.0008","90","","93.059","0.003","90","","1295.95","0.18","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0563","0.0407","","","0.1014","0.1104","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108309","16.952","0.003","5.2521","0.0007","28.76","0.004","90","","94.966","0.004","90","","2551","0.7","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C112 H72 Cl8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0796","0.0457","","","0.1016","0.1165","","","","","","1.051","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108310","4.7992","0.0003","10.0208","0.0007","27.428","0.002","90","","91.755","0.002","90","","1318.44","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0311","0.0251","","","0.0594","0.0623","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108311","4.8056","0.0002","27.8678","0.001","9.8421","0.0004","90","","94.227","0.003","90","","1314.48","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0376","0.0327","","","0.0708","0.0727","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108312","7.8062","0.0003","19.3","0.0007","8.8433","0.0003","90","","90","","90","","1332.33","0.08","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0231","0.0221","","","0.056","0.0566","","","","","","1.044","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108313","4.8588","0.0004","4.9939","0.0004","26.0286","0.0019","90","","91.448","0.005","90","","631.37","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C28 H18 Br2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0665","0.047","","","0.0712","0.0758","","","","","","0.987","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108314","13.018","0.003","10.488","0.002","9.7309","0.0019","90","","94.432","0.014","90","","1324.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0513","0.0383","","","0.0933","0.0981","","","","","","1.089","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108315","16.9434","0.0005","5.2417","0.0001","29.141","0.0008","90","","94.775","0.002","90","","2579.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C112 H72 Br8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0752","0.0663","","","0.1652","0.1696","","","","","","1.211","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108316","20.7974","0.0015","6.5752","0.0005","9.6889","0.0007","90","","93.899","0.004","90","","1321.86","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0206","0.0187","","","0.0447","0.0455","","","","","","1.088","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108317","11.0022","0.001","4.7359","0.0004","26.562","0.003","90","","97.636","0.003","90","","1371.7","0.2","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.051","0.0379","","","0.0885","0.0936","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108318","20.584","0.0016","7.1797","0.0005","9.1451","0.0007","90","","97.122","0.004","90","","1341.1","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0488","0.0394","","","0.0791","0.0825","","","","","","1.053","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108319","7.9499","0.0004","19.6384","0.001","8.8397","0.0004","90","","90","","90","","1380.08","0.12","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0372","","","","","","1.087","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108320","26.9793","0.0016","5.2899","0.0004","9.5068","0.0006","90","","95.747","0.002","90","","1349.97","0.16","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0237","0.0208","","","0.0489","0.0504","","","","","","1.071","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108321","4.9085","0.0003","4.9644","0.0003","26.7593","0.0016","90","","92.549","0.002","90","","651.42","0.07","101","2","101","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C28 H18 F6 I2 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0216","0.0208","","","0.0528","0.0533","","","","","","1.03","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108322","13.292","0.003","10.708","0.002","9.762","0.002","90","","96.305","0.007","90","","1381","0.5","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0356","0.0267","","","0.0614","0.0644","","","","","","1.047","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108323","14.7689","0.0014","5.2518","0.0005","17.2537","0.0017","90","","93.217","0.003","90","","1336.1","0.2","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.057","0.0446","","","0.0999","0.1105","","","","","","1.204","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108324","7.522","0.005","8.11","0.005","20.892","0.014","92.574","0.016","98.836","0.017","103.844","0.016","1218.3","1.4","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N9 O5 S -","- C24 H22 Cl N9 O5 S -","- C48 H44 Cl2 N18 O10 S2 -","2","1","","Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng","Triamterene‒furosemide salt: structural aspects and physicochemical evaluation","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013185","","","0.71073","MoKα","","0.1224","0.0594","","","0.1502","0.1926","","","","","","0.948","","","","has coordinates,has Fobs","212104","2020-10-21","18:00:00",""
"2108325","3.9978","0.0002","3.9978","0.0002","3.9978","0.0002","90","","90","","90","","63.894","0.006","300","0.03","300","0.03","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0123","0.0123","","","0.0455","0.0455","","","","1.14","1.14","1.13","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108326","4.0406","0.0002","4.0406","0.0002","4.0406","0.0002","90","","90","","90","","65.969","0.006","685","3","685","3","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0114","0.0114","","","0.0383","0.0383","","","","0.86","0.86","0.85","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108327","4.0581","0.0003","4.0581","0.0003","4.0581","0.0003","90","","90","","90","","66.83","0.009","827","3","827","3","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0189","0.0154","","","0.0513","0.054","","","","1.02","1.02","1.02","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108328","4.0763","0.0004","4.0763","0.0004","4.0763","0.0004","90","","90","","90","","67.733","0.012","909.4","0.9","909.4","0.9","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0148","0.0113","","","0.041","0.045","","","","0.95","0.95","0.98","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108329","3.997","0.0008","3.997","0.0008","3.997","0.0008","90","","90","","90","","63.86","0.02","279","2","279","2","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","x-ray","0.71075","MoKα","","0.0097","0.0097","","","0.0225","0.0225","","","","1.09","1.09","1.09","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108330","13.08438","0.0001","8.50319","0.0001","14.05022","0.0001","90","","119.309","0.0006","90","","1363.12","0.02","100","2","100","0.1","","","","","","","from Peter Herich","4","C 1 2/c 1","-C 2yc","15","","tetrakis(mu2-acetato)-diaqua-di-copper(II)","","- C8 H16 Cu2 O10 -","- C8 H16 Cu2 O10 -","- C32 H64 Cu8 O40 -","4","0.5","","Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef","Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013707","","","0.7107","MoKα","","0.025","0.019","","","","0.046","","","","","","1.199","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2108331","13.10149","0.00013","8.56324","0.00011","14.14837","0.00015","90","","119.121","0.0014","90","","1386.68","0.03","100","2","100","0.1","","","","","","","from Peter Herich","4","C 1 2/c 1","-C 2yc","15","","tetrakis(mu2-acetato)-diaqua-di-chromium(II)","","- C8 H16 Cr2 O10 -","- C8 H16 Cr2 O10 -","- C32 H64 Cr8 O40 -","4","0.5","","Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef","Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013707","","","0.7107","MoKα","","0.024","0.018","","","","0.03","","","","","","1.259","","","","has coordinates","212223","2020-10-21","18:00:00",""
"2108332","14.3328","0.0007","9.1209","0.0004","10.3732","0.0005","90","","90.007","0.002","90","","1356.07","0.11","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1282","0.1095","","","0.2699","0.2867","","","","","","1.05","","","","has coordinates,has Fobs","212434","2020-10-21","18:00:00",""
"2108333","14.364","0.004","9.134","0.003","10.373","0.003","90","","90.056","0.007","90","","1360.9","0.7","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1093","0.0935","","","0.2457","0.2629","","","","","","1.046","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108334","12.584","0.016","9.525","0.013","9.696","0.014","90","","90.1","0.04","90","","1162","3","398","2","398","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O11 Si4 V -","- Na2 O11 Si4 V -","- Na8 O44 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1772","0.1128","","","0.2798","0.3221","","","","","","1.055","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108335","14.5448","0.0002","6.5214","0.0004","23.8246","0.0006","90","","90","","90","","2259.82","0.15","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","1.54184","Cukα","","0.0479","0.0328","","","0.0707","0.0751","","","","1.83","1.83","1.7","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108336","12.8423","0.0007","7.0971","0.0004","12.6239","0.0007","90","","107.188","0.0016","90","","1099.19","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br N2 O -","- C13 H9 Br N2 O -","- C52 H36 Br4 N8 O4 -","4","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.0457","0.0251","","","0.0451","0.05","","","","1.27","1.27","1.21","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108337","10.7147","0.0011","34.282","0.003","10.9168","0.0011","90","","93.176","0.002","90","","4003.8","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 B2 N2 O4 -","- C22 H20 B2 N2 O4 -","- C176 H160 B16 N16 O32 -","8","4","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.1796","0.0548","","","0.0778","0.1016","","","","1.39","1.39","1.19","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108338","21.8035","0.0016","10.4647","0.0008","19.3032","0.0014","90","","111.794","0.003","90","","4089.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 B4 N4 O9 -","- C43 H38 B4 N4 O9 -","- C172 H152 B16 N16 O36 -","4","0.5","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","","1.54184","Cukα","","0.0732","0.06","","","0.1492","0.1541","","","","2.85","2.85","2.59","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108339","8.9492","0.0007","14.5926","0.0012","15.0762","0.0012","66.778","0.003","82.477","0.003","86.204","0.003","1793.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 B2 Br N2 O3 -","- C19 H13 B2 Br N2 O3 -","- C76 H52 B8 Br4 N8 O12 -","4","2","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.1069","0.048","","","0.0958","0.1019","","","","2.43","2.43","1.97","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108340","6.9097","0.0003","5.5036","0.0002","24.8544","0.0009","90","","93.808","0.001","90","","943.08","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Br2 Cu O6 Pb2 Se2 -","- Br2 Cu O6 Pb2 Se2 -","- Br8 Cu4 O24 Pb8 Se8 -","4","1","PS5074","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.1082","0.044","","","0.0565","0.0684","","","","","","0.924","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108341","11.154","0.006","12.95","0.007","19.834","0.009","90","","123.74","0.02","90","","2382","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br6 Cu O12 Pb6 Se4 -","- Br6 Cu O12 Pb6 Se4 -","- Br24 Cu4 O48 Pb24 Se16 -","4","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0855","0.036","","","0.056","0.0692","","","","","","0.576","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108342","8.275","0.008","9.303","0.009","11.891","0.012","90","","90","","90","","915.4","1.6","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Br0.67 Cu0.67 O2 Pb0.33 Se0.67 -","- Br0.666667 Cu0.666667 O2 Pb0.333333 Se0.666667 -","- Br8 Cu8 O24 Pb4 Se8 -","12","0.75","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0546","0.0361","","","0.0683","0.0745","","","","","","1.018","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108343","19.434","0.008","8.542","0.003","9.039","0.003","90","","100.684","0.01","90","","1474.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Br Cu2 O6 Pb0.5 Se2 -","- Br Cu2 O6 Pb0.5 Se2 -","- Br8 Cu16 O48 Pb4 Se16 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0529","0.0347","","","0.0776","0.0836","","","","","","1.012","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108344","19.502","0.007","5.2408","0.0019","16.469","0.006","90","","102.769","0.009","90","","1641.6","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 -","- Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 -","- Br3.2 Cu12 O60 Pb9.6 Se20 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0502","0.0389","","","0.0915","0.0962","","","","","","1.023","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108345","19.049","0.01","6.226","0.003","12.726","0.007","90","","109.843","0.012","90","","1419.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.75 Cu2.5 O4 Pb0.5 Se -","- Br1.75 Cu2.5 O4 Pb0.5 Se -","- Br14 Cu20 O32 Pb4 Se8 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0804","0.0407","","","0.061","0.0713","","","","","","0.944","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108346","19.146","0.005","6.2686","0.0018","17.296","0.005","90","","99.27","0.007","90","","2048.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.17 Cu1.92 O3 Pb0.25 Se0.75 -","- Br1.175 Cu1.925 O3 Pb0.25 Se0.75 -","- Br18.8 Cu30.8 O48 Pb4 Se12 -","16","2","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0452","0.0284","","","0.0577","0.0632","","","","","","1.06","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108347","38.0763","0.0016","6.2308","0.0003","11.1897","0.0005","90","","94.955","0.003","90","","2644.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33 -","- Br1.83333 Cu3.16667 O5.33333 Pb0.666667 Se1.33333 -","- Br22 Cu38 O64 Pb8 Se16 -","12","1.5","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0742","0.0411","","","0.0816","0.0934","","","","","","0.998","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108348","23.943","0.012","20.268","0.01","6.313","0.004","90","","90","","90","","3064","3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","1","0.0625","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0963","0.0726","","","0.2085","0.2308","","","","","","1.198","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108349","7.1255","0.00011","7.1255","0.00011","66.2902","0.0013","90","","90","","120","","2914.81","0.09","293","","293","2","","","","","","","in spurrite rocks, Hatrurim Complex, Negev Desert, Israel","8","R -3 m :H","-R 3 2""","166","","","aravaite","- C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 -","- C0.92 Ba2 Ca17.622 F3.456 Na0.378 O39.72 P2.96 Si6 -","- C2.76 Ba6 Ca52.866 F10.368 Na1.134 O119.16 P8.88 Si18 -","3","0.0833333","","Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka","Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers","Acta Crystallographica Section B","2018","74","6","492","501","10.1107/S2052520618012271","","x-ray","0.70848","","","0.0851","0.082","","","0.1829","0.1842","","","","3.81","3.81","3.6","","","","has coordinates,has Fobs","212437","2020-10-21","18:00:00",""
"2108429","13.4747","0.0004","12.9393","0.0004","7.7611","0.0002","90","","123.733","0.002","90","","1125.34","0.06","320.03","0.16","320.03","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","0.5","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0295","0.0295","","","0.0944","0.0944","","","","1.95","1.95","1.95","","","","has coordinates,has Fobs","216064","2020-10-21","18:00:00",""
"2108430","13.3923","","12.815","","7.8256","","90","","123.735","","90","","1116.9","","290","0.11","290","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Cl4 N2 Sb -","- C4.9928 H7 Cl4 N2 Sb -","- C19.9712 H28 Cl16 N8 Sb4 -","4","0.5","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0274","0.0274","","","0.0945","0.0945","","","","1.82","1.82","1.82","","","","has coordinates,has Fobs","216065","2020-10-21","18:00:00",""
"2108431","13.33","0.02","12.69","0.009","7.87","0.02","90","","123.8","0.2","90","","1106","4","260","0.12","260","0.12","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0362","0.0362","","","0.1205","0.1205","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","216066","2020-10-21","18:00:00",""
"2108432","13.3","0.02","12.66","0.018","7.89","0.02","90","","123.8","0.2","90","","1104","4","244.97","0.13","244.97","0.13","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0521","0.0521","","","0.0672","0.0672","","","","1.9","1.9","1.9","","","","has coordinates,has Fobs","216067","2020-10-21","18:00:00",""
"2108433","13.208","0.0004","12.526","0.004","7.9251","0.0003","90","","123.914","0.002","90","","1088.1","0.4","199.9","0.2","199.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0187","0.0139","","","0.0268","0.0304","","","","1.1","1.1","1.2","","","","has coordinates,has Fobs","216068","2020-10-21","18:00:00",""
"9017334","5.2475","","5.2475","","23.6795","","90","","90","","120","","564.687","","","","","","","","","","","","Merehead quarry, Somerset, England","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C H O4 Pb1.50001 -","- C6 H6 O24 Pb9.00006 -","6","0.166667","","Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica, Section B","2018","74","","182","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017335","5.257","","5.257","","23.636","","90","","90","","120","","565.693","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C H O4 Pb1.50001 -","- C6 H6 O24 Pb9.00006 -","6","0.166667","","Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica, Section B","2018","74","","182","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017336","7.1255","","7.1255","","66.2902","","90","","90","","120","","2914.81","","","","","","","","","","","","Hatrurim Complex, Arad, Israel","8","R -3 m :H","-R 3 2""","166","","","Aravaite","- C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 -","- C1.38 Ba3 Ca26.433 F5.184 Na0.567 O59.58 P4.44 Si9 -","- C2.76 Ba6 Ca52.866 F10.368 Na1.134 O119.16 P8.88 Si18 -","2","0.0555556","","Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A.","Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers","Acta Crystallographica, Section B","2018","74","","492","501","","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","288043","2023-12-05","16:05:09",""