Crystallography Open Database
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Searching journal of publication like 'Journal of Physical Chemistry B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1531991 | CIF | Al O4 P | R -3 :R | 9.442; 9.442; 9.442 94.65; 94.65; 94.65 | 832.974 | Poulet, G.; Tuel, A.; Sautet, P. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations J. Phys. Chem. B, 2002, 106, 8599-8608 |
| 1531993 | CIF | Al H4 O6 P | P 1 | 9.1851; 9.464; 9.5281 94.511; 102.89; 95.751 | 798.953 | Poulet, G.; Sautet, P.; Tuel, A. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principlescalculations J. Phys. Chem. B, 2002, 106, 8599-8608 |
| 1532662 | CIF | Al3.8016 Co1.672 O88.236 Si32.1984 | I m m m | 19.061; 14.163; 7.493 90; 90; 90 | 2022.82 | Dalconi, M.C.; Alberti, A.; Cruciani, G. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
| 1532666 | CIF | Al3.8 Co1.8 H7.46 Na0.2 O75.73 Si32.2 | I m m m | 18.878; 14.136; 7.476 90; 90; 90 | 1995.04 | Dalconi, M.C.; Cruciani, G.; Alberti, A. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
| 1532669 | CIF | Al3.8 Co1.62 Na0.61 O72 Si32.2 | I m m m | 18.819; 14.054; 7.467 90; 90; 90 | 1974.89 | Dalconi, M.C.; Alberti, A.; Cruciani, G. Cation migration and structural modification of Co-exchanged ferrierite upon heating: a time-resolved X-ray powder diffraction study J. Phys. Chem. B, 2003, 107, 12973-12980 |
| 1532903 | CIF | Al6 Cs7.39 H14.78 O79.39 Si30 | C 1 2/m 1 | 17.4303; 17.9836; 7.4396 90; 113.83; 90 | 2133.21 | Johnson, M.; Barnes, P.; O'Connor, D.; Stephenson, R.; Owens, S.L.; Catlow, C.R.A.; Sankar, G.; Teat, S.J.; Bell, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
| 1532905 | CIF | Al6 Cs7.1 O72 Si30 | C 1 2/m 1 | 17.213; 17.616; 7.435 90; 113.529; 90 | 2067.03 | Johnson, M.; O'Connor, D.; Barnes, P.; Bell, R.; Catlow, C.R.A.; Sankar, G.; Owens, S.L.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
| 1532907 | CIF | Al6 Cs6 O72 Si30 | C 1 2/m 1 | 17.17; 17.68; 7.456 90; 113.27; 90 | 2079.27 | Johnson, M.; O'Connor, D.; Barnes, P.; Owens, S.L.; Stephenson, R.; Catlow, C.R.A.; Sankar, G.; Teat, S.J.; Bell, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
| 1532909 | CIF | Al6 H18.08 Na8 O81.04 Si30 | C 1 2/m 1 | 17.403; 18.012; 7.435 90; 113.812; 90 | 2132.2 | Johnson, M.; Catlow, C.R.A.; O'Connor, D.; Barnes, P.; Owens, S.L.; Bell, R.; Sankar, G.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
| 1532910 | CIF | Al6 Na6 O72 Si30 | C 1 2/m 1 | 16.945; 16.876; 7.369 90; 114.898; 90 | 1911.42 | Johnson, M.; O'Connor, D.; Bell, R.; Barnes, P.; Catlow, C.R.A.; Sankar, G.; Owens, S.L.; Teat, S.J.; Stephenson, R. Cation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling J. Phys. Chem. B, 2003, 107, 942-951 |
| 1533064 | CIF | Ca5 F0.4 O12.1 P3 | P 63/m | 9.374; 9.374; 6.8826 90; 90; 120 | 523.761 | Rodriguez-Lorenzo, L.M.; Gross, K.A.; Hart, J.N. Structural and chemical analysis of well-crystallized hydroxyfluorapatites J. Phys. Chem. B, 2003, 107, 8316-8320 |
| 1533645 | CIF | Al92 Cd46 I89.5 O384 Si100 | F d -3 m :2 | 24.861; 24.861; 24.861 90; 90; 90 | 15365.8 | Song Mee Kyung; Choi Eunyoung; Kim Yang; Seff, K. Disproportionation of an element in a zeolite. II. Crystal structure of an iodine sorption complex of dehydrated fully Cd(2+)-exchanged zeolite X containing n-I5(-) as I(-) - I3(+) - I(-) and square cyclo-I4(2+) J. Phys. Chem. B, 2003, 107, 10709-10714 |
| 1533756 | CIF | Al92 In66 O384 Si100 | F d -3 m :2 | 24.942; 24.942; 24.942 90; 90; 90 | 15516.5 | Heo Nam Ho; Park Jong Sam; Lim Woo Taik; Kim Young Joo; Seff, K.; Jung Sung Wook Spatially ordered quantum dot array of indium nanoclusters in fully indium-exchanged zeolite X J. Phys. Chem. B, 2003, 107, 1120-1128 |
| 1533966 | CIF | Al7.76 H64 Na7.45 O128 Si40.24 | C m c m | 18.112; 20.475; 7.523 90; 90; 90 | 2789.85 | Kato, M.; Itabashi, K.; Matsumoto, A.; Tsutsumi, K. Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework J. Phys. Chem. B, 2003, 107, 1788-1797 |
| 1533968 | CIF | Al5.55 H64 Na5.33 O128 Si42.45 | C m c m | 18.108; 20.428; 7.504 90; 90; 90 | 2775.81 | Kato, M.; Itabashi, K.; Tsutsumi, K.; Matsumoto, A. Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework J. Phys. Chem. B, 2003, 107, 1788-1797 |
| 1533970 | CIF | Al4.96 H64 Na4.67 O128 Si43.04 | C m c m | 18.108; 20.428; 7.504 90; 90; 90 | 2775.81 | Kato, M.; Itabashi, K.; Matsumoto, A.; Tsutsumi, K. Characteristics of MOR-framework zeolites synthesized in fluoride-containing media and related ordered distribution of Al atoms in the framework J. Phys. Chem. B, 2003, 107, 1788-1797 |
| 1534642 | CIF | Al H3 O3 | P b c a | 8.6857; 5.0521; 9.4954 90; 90; 90 | 416.668 | Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D. Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies J. Phys. Chem. B, 2005, 109, 8857-8860 |
| 6000224 | CIF | Al92 H144 Na60 O440 Si100 | F d -3 | 25.128; 25.128; 25.128 90; 90; 90 | 15866.2 | Zhu, L.; Seff, K.; Olson, D. H.; Cohen, B. J.; von Dreele, R. B. Hydronium ions in zeolites. 1. Structures of partially and fully dehydrated Na,H3O-X by X-ray and neutron diffraction Journal of Physical Chemistry B, 1999, 103, 10365-10372 |
| 6000225 | CIF | Al92 H32 Na60 O384 Si100 | F d -3 | 25.101; 25.101; 25.101 90; 90; 90 | 15815.1 | Zhu, L.; Seff, K.; Olson, D. H.; Cohen, B. J.; von Dreele, R. B. Hydronium ions in zeolites. 1. Structures of partially and fully dehydrated Na,H3O-X by X-ray and neutron diffraction Journal of Physical Chemistry B, 1999, 103, 10365-10372 |
| 6000449 | CIF | C168 H168 Al92 Ca46 O384 Si100 | Fd3 | 24.953; 24.953; 24.953 90; 90; 90 | 15537 | Yeom, Y. H.; Kim, A. N.; Kim, Y.; Song, S. H.; Seff, K. Crystal structure of a benzene sorption complex of dehydrated fully Ca2±exchanged zeolite x Journal of Physical Chemistry B, 1998, 102, 6071-6077 |
| 9009989 | CIF | Al2.165 Ca0.592 H20 K0.023 Mg0.023 Na0.09 O20.64 Si5.835 | C 1 2/c 1 | 17.983; 17.966; 14.625 90; 114.31; 90 | 4306.12 | Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: large crystal, monoclinic Journal of Physical Chemistry B, 2002, 106, 10277-10284 |
| 9009990 | CIF | Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 | P 41 2 2 | 12.634; 12.634; 26.608 90; 90; 90 | 4247.12 | Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths Journal of Physical Chemistry B, 2002, 106, 10277-10284 |
| 9012733 | CIF | D2 O | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 7 K, host lattice Note: y(D7) corrected Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012734 | CIF | D2 O | F d -3 m :2 | 17.109; 17.109; 17.109 90; 90; 90 | 5008.11 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 75 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012735 | CIF | D2 O | F d -3 m :2 | 17.15; 17.15; 17.15 90; 90; 90 | 5044.2 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 140 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012736 | CIF | D2 O | F d -3 m :2 | 17.198; 17.198; 17.198 90; 90; 90 | 5086.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 205 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012737 | CIF | D2 O | F d -3 m :2 | 17.262; 17.262; 17.262 90; 90; 90 | 5143.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 265 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012738 | CIF | C0.333 H0.667 O0.083 | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: cell T = 7 K, positions T = 5 K, guest molecule Note: occupancies of C11 and H14 switched to reproduce reported formula Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
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