Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2109040 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1703; 8.4987; 6.695 90; 101.01; 90 | 512.2 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109041 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1302; 8.4972; 6.657 90; 101; 90 | 507 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109042 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1044; 8.4959; 6.628 90; 100.98; 90 | 503.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109043 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.07; 8.4856; 6.61 90; 100.98; 90 | 499.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109044 | CIF HKL Paper | C23 H30 N2 S | P 1 21/c 1 | 16.4064; 8.7386; 14.8229 90; 104.983; 90 | 2052.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109045 | CIF HKL Paper | C23 H30 N2 Se | P b c a | 17.4279; 15.2522; 31.0253 90; 90; 90 | 8247 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109046 | CIF HKL Paper | C25 H33 N3 S | P 1 21/c 1 | 13.0884; 12.976; 14.4293 90; 113.028; 90 | 2255.32 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109047 | CIF HKL Paper | C25 H33 N3 Se | P 1 21/c 1 | 13.1365; 13.3024; 14.2478 90; 113.156; 90 | 2289.18 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109048 | CIF HKL Paper | C23 H30 I2 N2 S | P -1 | 7.9505; 8.5048; 18.2812 81.04; 89.926; 85.125 | 1216.54 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109049 | CIF HKL Paper | C23 H30 I2 N2 Se | P -1 | 8.0282; 8.4305; 18.3525 81.814; 89.706; 85.171 | 1225.08 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109050 | CIF HKL Paper | C23 H30 I4 N2 S | P -1 | 8.3022; 11.351; 15.5656 83.691; 87.18; 75.024 | 1408.1 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109051 | CIF HKL Paper | C23 H30 I4 N2 Se | P 1 21/n 1 | 11.0063; 22.9632; 11.1015 90; 93.024; 90 | 2801.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109052 | CIF HKL Paper | C24 H32 Cl2 I4 N2 Se | P -1 | 8.4541; 8.5353; 22.0045 93.258; 90.198; 98.032 | 1569.59 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109053 | CIF HKL Paper | C26 H35 I5 N2 O Se | C 1 2/c 1 | 13.2501; 11.0708; 45.509 90; 96.722; 90 | 6629.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109054 | CIF HKL Paper | C29 H41 I3 N2 O S | P -1 | 8.7838; 14.2194; 15.1418 63.522; 74.494; 80.494 | 1628.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109055 | CIF HKL Paper | C29 H41 I3 N2 O Se | P -1 | 8.8091; 14.2584; 15.1228 63.952; 74.061; 81.113 | 1639.67 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109056 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P n a 21 | 7.6668; 16.8546; 22.3786 90; 90; 90 | 2891.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109057 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P 21 21 21 | 8.208; 12.9974; 27.2463 90; 90; 90 | 2906.71 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109058 | CIF HKL Paper | C29 H30 F4 I2 N2 Se | P 21 21 21 | 8.2583; 12.9953; 27.224 90; 90; 90 | 2921.65 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109059 | CIF HKL | C52 H60 F4 I2 N4 S2 | C 1 2/c 1 | 39.0981; 17.0474; 7.3957 90; 94.344; 90 | 4915.2 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109060 | CIF HKL | C52 H60 F4 I2 N4 Se2 | C 1 2/c 1 | 39.058; 17.2429; 7.4287 90; 94.012; 90 | 4990.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109061 | CIF HKL | C52 H60 F4 I2 N4 S2 | P -1 | 7.502; 12.2475; 14.478 104.905; 95.822; 104.609 | 1224.1 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109062 | CIF HKL | C52 H60 F4 I2 N4 Se2 | P -1 | 7.5969; 12.1995; 14.4439 104.613; 95.7464; 104.119 | 1237.43 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109063 | CIF HKL | C52 H60 F4 I2 N4 S2 | P 1 21/c 1 | 13.3377; 15.2129; 13.0613 90; 109.998; 90 | 2490.41 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109064 | CIF HKL Paper | C87 H90 F9 I9 N6 S3 | P 1 21/c 1 | 39.226; 7.9811; 30.341 90; 106.162; 90 | 9123.3 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109065 | CIF HKL Paper | C29 H30 F3 I3 N2 Se | P 1 21/n 1 | 8.0412; 30.07; 12.4774 90; 92.632; 90 | 3013.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109066 | CIF HKL Paper | C29 H30 F5 I N2 S | P n a 21 | 7.8472; 16.1751; 21.7956 90; 90; 90 | 2766.5 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109067 | CIF HKL | C76 H60 F25 I5 N4 Se2 | P 1 21/c 1 | 25.9292; 8.0709; 20.4309 90; 113.037; 90 | 3934.6 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109068 | CIF HKL | C24 H30 I2 N2 S | P -1 | 7.917; 11.6457; 15.0306 67.358; 83.953; 72.067 | 1216.73 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109069 | CIF HKL | C48 H60 I4 N4 Se2 | P -1 | 7.9777; 11.7334; 15.0059 67.54; 82.671; 71.632 | 1231.91 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109070 | CIF HKL | Ca5 Cl O12 V3 | P 63/m | 10.149; 10.149; 6.7957 90; 90; 120 | 606.19 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
| 2109071 | CIF HKL | Ca4.78 Cl0.78 Na0.22 O12 P3 | P 63/m | 9.5773; 9.5773; 6.8033 90; 90; 120 | 540.43 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
| 2109072 | CIF HKL | Hf O3 Pb | I m m a | 5.8522; 8.236; 5.867 90; 90; 90 | 282.8 | Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry Incommensurate crystal structure of PbHfO~3~ Acta Crystallographica Section B, 2020, 76, 7-12 |
| 2109073 | CIF HKL Paper | C3 H7 N3 O5 | I 1 2/a 1 | 8.6385; 6.6817; 11.6069 90; 107.466; 90 | 639.061 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109074 | CIF HKL | C20 H14 | P 21 21 21 | 8.0808; 8.1662; 20.3821 90; 90; 90 | 1345 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109075 | CIF HKL | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109076 | CIF | Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3 | P b a m | 9.246; 12.2731; 3.0092 90; 90; 90 | 341.48 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Cherosov, Mikhail A.; Bubnova, Rimma S.; Vagizov, Farit G.; Krzhizhanovskaya, Maria G.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe^2+^)~2~(Fe^3+^,Ti,Mg,Al)O~2~(BO~3~): an <i>in situ</i> temperature-dependent investigation (5 {łeq} <i>T</i> {łeq} 1650K) Acta Crystallographica Section B, 2022, 78 |
| 2109077 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5329; 9.9018; 7.0147 90; 100.309; 90 | 378.1 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109078 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5204; 9.8941; 6.9655 90; 100.34; 90 | 374.27 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109079 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5087; 9.8814; 6.9315 90; 100.379; 90 | 371.13 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109080 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2831; 9.491; 6.5957 90; 100.623; 90 | 325.05 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109081 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2524; 9.4479; 6.535 90; 100.664; 90 | 318.69 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109082 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.173; 9.3305; 6.3822 90; 100.777; 90 | 302.61 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109083 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.107; 9.206; 6.285 90; 101.08; 90 | 290 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109084 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.85463; 10.1532; 7.2722 90; 102.701; 90 | 421.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109085 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.83962; 10.1442; 7.2368 90; 102.705; 90 | 418.2 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109086 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.82719; 10.1348; 7.20284 90; 102.711; 90 | 414.956 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109087 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5767; 9.7073; 6.8424 90; 102.262; 90 | 361.96 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109088 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5292; 9.6336; 6.7597 90; 102.209; 90 | 351.92 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109089 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4696; 9.5403; 6.6492 90; 102.28; 90 | 339.03 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109090 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4335; 9.4863; 6.584 90; 102.191; 90 | 331.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109091 | CIF HKL Paper | C19 H21 Cl N4 O6 | P -1 | 7.0381; 12.2643; 12.4636 103.215; 97.797; 93.497 | 1032.92 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109092 | CIF HKL | C19 H23 N3 O5 | P 1 21/n 1 | 8.7472; 16.9734; 13.248 90; 94.886; 90 | 1959.78 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109093 | CIF HKL | C21 H25 N3 O4 | P -1 | 6.9734; 11.254; 13.4029 89.949; 82.689; 74.261 | 1003.55 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109094 | CIF HKL | C19 H21 N5 O8 | P 1 21/n 1 | 6.9538; 18.9491; 15.9042 90; 99.261; 90 | 2068.35 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109095 | CIF HKL | C14 H20 N3 O4 | P 1 21/c 1 | 6.9773; 20.6482; 10.5035 90; 98.764; 90 | 1495.56 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109096 | CIF HKL | C19 H22 N4 O6 | P -1 | 6.8701; 12.1647; 12.1779 101.13; 92.818; 105.005 | 959.26 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109097 | CIF | C19 H23 N3 O6 | P 1 21/n 1 | 8.5777; 17.5407; 13.22 90; 96.605; 90 | 1975.86 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109098 | CIF HKL | C45 H52 N6 O13 | C 1 2/c 1 | 41.7; 8.2992; 12.9536 90; 97.033; 90 | 4449.2 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109099 | CIF HKL Paper | Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24 | C 1 2/m 1 | 13.3428; 18.932; 8.9404 90; 90.361; 90 | 2258.35 | Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V. (Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure Acta Crystallographica Section B, 2023, 79, 24-31 |
| 2109100 | CIF HKL | H5 Nd O8 Se2 | P 1 21/c 1 | 7.0815; 6.6996; 16.7734 90; 101.256; 90 | 780.48 | Murtazoev, Alisher F.; Berdonosov, Peter S.; Aksenov, Sergey M.; Kuznetsov, Alexey N.; Dolgikh, Valery A.; Nelyubina, Yulia V.; Merlino, Stefano Polytypism of Ln(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O, DFT calculations and order/disorder description. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 176-183 |
| 2109101 | CIF HKL Paper | Ba2 O8 Si2 Ti | P 4 b m | 8.5104; 8.5104; 5.1975 90; 90; 90 | 376.44 | Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M. Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 184-194 |
| 2310026 | CIF Paper | Cl4 Rb2 Zn | Pmcn(00\g)ss0 | 7.241; 12.648; 9.216 90; 90; 90 | 844.04 | Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ Acta Crystallographica Section B, 2011, 67, 205-217 |
| 2310027 | CIF Paper | Cl4 Rb2 Zn | Pmcn(00\g)ss0 | 7.241; 12.648; 9.216 90; 90; 90 | 844.04 | Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ Acta Crystallographica Section B, 2011, 67, 205-217 |
| 2310028 | CIF Paper | Sb8 Te3 | R-3m(00\g) | 4.3134; 4.3134; 5.8658 90; 90; 120 | 94.514 | Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki Crystallization of the chalcogenide compound Sb~8~Te~3~ Acta Crystallographica Section B, 2011, 67, 381-385 |
| 2310029 | CIF Paper | Ba0.721 Ca0.251 Ce0.024 Nb2 O6 | X4bm | 12.4596; 12.4596; 7.9042 90; 90; 90 | 1227.06 | Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B, 2012, 68, 101-106 |
| 2310030 | CIF Paper | Ba0.72 Ca0.279 Nb2 O6 | X4bm | 12.4529; 12.4529; 7.9242 90; 90; 90 | 1228.84 | Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B, 2012, 68, 101-106 |
| 2310031 | CIF Paper | Ga0.889 O4.222 Zn2.889 | C2/m(\a0\g)00 | 19.66; 3.2487; 1.6065 90; 105.9; 90 | 98.7 | Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i> Acta Crystallographica Section B, 2012, 68, 250-260 |
| 2310032 | CIF Paper | Ca Mn7 O12 | R-3(00\g)0 | 10.44365; 10.44365; 6.343562 90; 90; 120 | 599.195 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310033 | CIF Paper | Ca Mn7 O12 | R3(00\g)t | 10.443658; 10.443658; 6.343562 90; 90; 120 | 599.196 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310034 | CIF Paper | Ca Mn7 O12 | R31(00\g)ts | 10.4372; 10.4372; 6.3414 90; 90; 120 | 598.25 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310035 | CIF Paper | Ca Cu0.113 Mn6.887 O12 | R31(00\g)ts | 10.4312; 10.4312; 6.3417 90; 90; 120 | 597.59 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310036 | CIF Paper | Ca Mn7 O12 | R31(00\g)ts | 10.4452; 10.4452; 6.3453 90; 90; 120 | 599.54 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310037 | CIF Paper | Ca Cu0.246 Mn6.754 O12 | R31(00\g)ts | 10.403; 10.403; 6.334 90; 90; 120 | 593.6 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310038 | CIF Paper | Bi14 Fe12 O61 Sr21 | X2/m(\a0\g)0s | 3.5905; 5.4903; 3.4954 90; 81.8989; 90 | 68.217 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
| 2310039 | CIF Paper | Bi0.737 Mo0.263 O1.895 | F2(\a0\g)0 | 5.66785; 5.64098; 5.45603 90; 89.6677; 90 | 174.439 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310040 | CIF Paper | Bi0.75 Mo0.25 O1.875 | F2/m(\a0\g)0s | 5.70284; 5.64841; 5.46579 90; 89.5999; 90 | 176.06 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310041 | CIF Paper | Bi0.769 Mo0.231 O1.846 | F2(\a0\g)0 | 5.76634; 5.64745; 5.46529 90; 89.7935; 90 | 177.977 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310042 | CIF Paper | Bi0.727 Mo0.273 O1.909 | F2/m(\a0\g)0s | 5.64477; 5.63038; 5.4499 90; 89.7498; 90 | 173.208 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310043 | CIF Paper | Bi12 Fe10 O52 Sr18 | X2/m(\a0\g)0s | 3.6174; 5.48; 3.4641 90; 81.2438; 90 | 67.87 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
| 2310050 | CIF Paper | Ag0.034 In0.037 Sb0.764 Te0.165 | R-3m(00\g)00 | 4.3037; 4.3037; 5.6452 90; 90; 120 | 90.551 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310057 | CIF Paper | Sb0.87 Te0.13 | R-3m(00\g)00 | 4.3181; 4.3181; 5.7267 90; 90; 120 | 92.474 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310058 | CIF Paper | Sb0.89 Te0.11 | R-3m(00\g)00 | 4.29686; 4.29686; 5.6759 90; 90; 120 | 90.754 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310129 | CIF HKL Paper | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 197-211 |
| 2310153 | CIF HKL Paper | C32 H36 N8 O7 S | P -1 | 8.4454; 10.9223; 18.4436 90.268; 94.002; 106.255 | 1628.78 | van de Streek, Jacco Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 89-94 |
| 2310154 | CIF HKL Paper | As39.51 Pb6.13 S136 Sb41.51 Tl16.85 | P 1 | 8.5197; 42.461; 16.293 83.351; 90.958; 84.275 | 5823 | Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude Structure of Pb-rich chabournéite from Jas Roux, France. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 81-88 |
| 2310155 | CIF HKL Paper | C0.6 O49.2 Si24 | P 1 21/n 1 | 13.376; 20.111; 19.878 90; 90.003; 90 | 5347.3 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310156 | CIF HKL Paper | C0.14 O48.27 Si24 | P 1 21/n 1 | 13.383; 20.118; 19.887 90; 90.049; 90 | 5354.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310157 | CIF HKL Paper | C0.6 O49.2 Si24 | P 1 21/n 1 | 13.388; 20.132; 19.902 90; 90.04; 90 | 5364.1 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310158 | CIF HKL Paper | C1.1 O50.2 Si24 | P 1 21/n 1 | 13.383; 20.121; 19.881 90; 90.057; 90 | 5353.5 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310159 | CIF HKL Paper | C1.1 O48.5 Si24 | P 1 21/n 1 | 13.386; 20.106; 19.881 90; 90.02; 90 | 5350.8 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310160 | CIF HKL Paper | C2 O49 Si24 | P 1 21/n 1 | 13.381; 20.107; 19.875 90; 90.023; 90 | 5347.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310161 | CIF HKL Paper | C0.4 O48.2 Si24 | P 1 21/n 1 | 13.383; 20.108; 19.877 90; 90.003; 90 | 5349 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310162 | CIF HKL Paper | C0.5 O48.2 Si24 | P 1 21/n 1 | 13.385; 20.11; 19.881 90; 90.041; 90 | 5351.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310163 | CIF HKL Paper | C4 H16 Ca O12 | P 21 21 2 | 7.739; 12.803; 5.829 90; 90; 90 | 577.551 | Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 68-73 |
| 2310735 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.827; 5.218; 5.537 90; 90; 90.02 | 226.1 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310736 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8266; 5.2203; 5.5404 90; 90; 89.988 | 226.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310737 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8295; 5.2213; 5.5418 90; 90; 89.994 | 226.55 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310738 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2222; 5.5444 90; 90; 90.007 | 226.82 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310739 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.837; 5.2237; 5.5459 90; 90; 90.001 | 227.04 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
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