Crystallography Open Database
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Searching year of publication is 2016
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1548618 | CIF | Al Ti | P m -3 m | 3.018; 3.018; 3.018 90; 90; 90 | 27.489 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038071 | CIF | S2 Sn | P -3 m 1 | 3.5074; 3.5074; 4.978 90; 90; 120 | 53.03 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038077 | CIF | S2 Sn | P -3 m 1 | 3.5272; 3.5272; 5.026 90; 90; 120 | 54.15 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038075 | CIF | S2 Sn | P -3 m 1 | 3.5343; 3.5343; 5.068 90; 90; 120 | 54.82 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038076 | CIF | S2 Sn | P -3 m 1 | 3.5362; 3.5362; 5.1 90; 90; 120 | 55.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038078 | CIF | S2 Sn | P -3 m 1 | 3.5388; 3.5388; 5.175 90; 90; 120 | 56.12 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038072 | CIF | S2 Sn | P -3 m 1 | 3.5455; 3.5455; 5.257 90; 90; 120 | 57.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038082 | CIF | S2 Sn | P -3 m 1 | 3.5605; 3.5605; 5.317 90; 90; 120 | 58.37 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038074 | CIF | S2 Sn | P -3 m 1 | 3.5766; 3.5766; 5.393 90; 90; 120 | 59.75 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038081 | CIF | S2 Sn | P -3 m 1 | 3.5983; 3.5983; 5.494 90; 90; 120 | 61.6 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107529 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9637; 3.9637; 3.9637 90; 90; 90 | 62.273 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107530 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9639; 3.9639; 3.9639 90; 90; 90 | 62.28 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107531 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9646; 3.9646; 3.9646 90; 90; 90 | 62.32 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107532 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9674; 3.9674; 3.9674 90; 90; 90 | 62.45 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038070 | CIF | S2 Sn | P -3 m 1 | 3.6067; 3.6067; 5.544 90; 90; 120 | 62.46 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107533 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9702; 3.9702; 3.9702 90; 90; 90 | 62.58 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107528 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9503; 3.9503; 4.0161 90; 90; 90 | 62.67 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107534 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9734; 3.9734; 3.9734 90; 90; 90 | 62.73 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107527 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9474; 3.9474; 4.0263 90; 90; 90 | 62.74 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107526 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9435; 3.9435; 4.0401 90; 90; 90 | 62.83 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107525 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9339; 3.9339; 4.0683 90; 90; 90 | 62.96 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107524 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9211; 3.9211; 4.1025 90; 90; 90 | 63.076 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107521 | CIF HKL Paper | O3 Pb Ti | P 4 m m | 3.8992; 3.8992; 4.1499 90; 90; 90 | 63.094 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107523 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9117; 3.9117; 4.1243 90; 90; 90 | 63.108 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107522 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9043; 3.9043; 4.1407 90; 90; 90 | 63.119 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038069 | CIF | S2 Sn | P -3 m 1 | 3.6215; 3.6215; 5.65 90; 90; 120 | 64.17 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1561463 | CIF | Eu Nb O3 | P m -3 m | 4.02753; 4.02753; 4.02753 90; 90; 90 | 65.3306 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 7038080 | CIF | S2 Sn | P -3 m 1 | 3.6339; 3.6339; 5.7322 90; 90; 120 | 65.55 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1545053 | CIF | Al Ti | P 4/m m m | 4.01867; 4.01867; 4.06542 90; 90; 90 | 65.655 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038073 | CIF | S2 Sn | P -3 m 1 | 3.639; 3.639; 5.7853 90; 90; 120 | 66.35 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107445 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6047; 3.6047; 5.184 90; 90; 90 | 67.36 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107446 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6053; 3.6053; 5.1843 90; 90; 90 | 67.387 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107448 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6055; 3.6055; 5.1841 90; 90; 90 | 67.391 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107450 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6059; 3.6059; 5.1838 90; 90; 90 | 67.402 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107452 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6062; 3.6062; 5.1841 90; 90; 90 | 67.418 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107454 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.612; 3.612; 5.172 90; 90; 90 | 67.48 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 7038079 | CIF | S2 Sn | P -3 m 1 | 3.6456; 3.6456; 5.8934 90; 90; 120 | 67.832 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2300621 | CIF HKL | Co0.3 Fe0.7 Si | P 21 3 | 4.4732; 4.4732; 4.4732 90; 90; 90 | 89.507 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1552017 | CIF | O2 Xe | P n m a | 3.5614; 5.7987; 4.4054 90; 90; 90 | 90.978 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2300619 | CIF HKL | Mn Si | P 21 3 | 4.5622; 4.5622; 4.5622 90; 90; 90 | 94.956 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 2300620 | CIF HKL | Mn Si | P 21 3 | 4.5662; 4.5662; 4.5662 90; 90; 90 | 95.206 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1561384 | CIF | Ga Sm Sn2 | P m -3 m | 4.5778; 4.5778; 4.5778 90; 90; 90 | 95.93 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561530 | CIF | In K S4 Sn | P 6/m | 3.745; 3.745; 8.434 90; 90; 120 | 102.44 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561529 | CIF | In Na S4 Sn | P 6/m | 3.7273; 3.7273; 8.56 90; 90; 120 | 102.99 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 9017758 | CIF | Cu0.53 Fe0.47 Se2 | P n n m | 4.918; 6.001; 3.57 90; 90; 90 | 105.361 | Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J. Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic Minerals, 2016, 6 |
| 1544392 | CIF | D2.32 Mg2.45 O6 Si1.19 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1544393 | CIF | D2.22 Mg2.28 O6 Si1.31 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1561387 | CIF | Al2 Pt3 Sr | P 6/m m m | 5.6629; 5.6629; 3.8939 90; 90; 120 | 108.142 | Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al Journal of Solid State Chemistry, 2016, 242, 143-150 |
| 7040217 | CIF | Sn | I 41/a m d :2 | 5.8323; 5.8323; 3.1823 90; 90; 90 | 108.25 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 1552018 | CIF | O3 Xe | P 21 21 21 | 7.6536; 3.2888; 4.5277 90; 90; 90 | 113.967 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 4344741 | CIF | Mn O6 Pb Te | P -6 2 m | 5.10143; 5.10143; 5.39643 90; 90; 120 | 121.624 | Kim, Sun Woo; Deng, Zheng; Li, Man-Rong; Sen Gupta, Arnab; Akamatsu, Hirofumi; Gopalan, Venkatraman; Greenblatt, Martha PbMn(IV)TeO6: A New Noncentrosymmetric Layered Honeycomb Magnetic Oxide. Inorganic chemistry, 2016, 55, 1333-1338 |
| 1561490 | CIF | Ga3 Ta | I 4/m m m | 3.7695; 3.7695; 8.7271 90; 90; 90 | 124 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1545054 | CIF | Al Ti3 | P 63/m m c | 5.76803; 5.76803; 4.64241 90; 90; 120 | 133.761 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 2241796 | CIF HKL Paper | F4 Nb | I 4/m m m | 4.0876; 4.0876; 8.1351 90; 90; 90 | 135.93 | Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian Redetermination of the crystal structure of NbF~4~ Acta Crystallographica Section E, 2016, 72, 1211-1213 |
| 7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
| 1552016 | CIF | O2 Xe3 | I m m m | 8.5363; 3.2173; 4.9636 90; 90; 90 | 136.32 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
| 7234885 | CIF | Cl Gd H2 O2 | P 1 21/m 1 | 6.18; 3.757; 6.734 90; 111.075; 90 | 145.9 | Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride Journal of Materials Chemistry C, 2016, 4, 6473-6477 |
| 3500059 | CIF HKL | O4 Pd S | I 1 2/m 1 | 4.9466; 4.9481; 6.1943 90; 92.8096; 90 | 151.43 | Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD, 2016 |
| 4347866 | CIF | C H3 N3 Yb | P 63/m | 5.25963; 5.25963; 6.67042 90; 90; 120 | 159.806 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 1561483 | CIF | Ga2 Ta3 | P 4/m b m | 6.8388; 6.8388; 3.4933 90; 90; 90 | 163.379 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 4124925 | CIF | As2 Ca Co1.87 | I 4/m m m | 3.9927; 3.9927; 10.3133 90; 90; 90 | 164.411 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124924 | CIF | As2 Ca0.9 Co1.906 Eu0.1 | I 4/m m m | 3.9984; 3.9984; 10.3696 90; 90; 90 | 165.781 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124926 | CIF | As2 Ca0.845 Co1.888 La0.155 | I 4/m m m | 4.0018; 4.0018; 10.3726 90; 90; 90 | 166.111 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4002659 | CIF | Al Li O2 | P 41 21 2 | 5.15885; 5.15885; 6.27 90; 90; 90 | 166.868 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 4002658 | CIF | Al Li O2 | P 41 21 2 | 5.1965; 5.1965; 6.3464 90; 90; 90 | 171.376 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 7041112 | CIF | C2 H6 N10 O2 | P -1 | 4.7498; 5.8928; 6.7042 98.39; 90.89; 109.46 | 174.62 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 4130845 | CIF | C8 H6 O4 | P -1 | 5.0384; 5.3623; 7.006 71.993; 76.093; 87.198 | 174.67 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4130843 | CIF | C8 H6 O4 | P -1 | 5.0374; 5.3641; 7.0068 72.004; 76.098; 87.219 | 174.73 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4002660 | CIF | Al Li O2 | P 41 21 2 | 5.2252; 5.2252; 6.4038 90; 90; 90 | 174.841 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 7041111 | CIF | C2 H6 N10 O2 | P -1 | 4.751; 5.9102; 6.7024 98.682; 90.702; 109.077 | 175.44 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 1561564 | CIF | Ba Li2 Mn O8 V2 | P -3 | 5.2887; 5.2887; 7.3026 90; 90; 120 | 176.89 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4124927 | CIF | As2 Co2 Eu | I 4/m m m | 3.929; 3.929; 11.512 90; 90; 90 | 177.71 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4130844 | CIF | C8 H6 O4 | P -1 | 3.7793; 6.4791; 7.404 82.942; 81.006; 88.982 | 177.71 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4344617 | CIF | Cu Ga3 Gd | I 4 m m | 4.119; 4.119; 10.5327 90; 90; 90 | 178.699 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344615 | CIF | Cu Ga3 Sm | I 4 m m | 4.1441; 4.1441; 10.5568 90; 90; 90 | 181.3 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344618 | CIF | Cu Ga3 Nd | I 4 m m | 4.1913; 4.1913; 10.409 90; 90; 90 | 182.85 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344614 | CIF | Cu Ga3 Nd | I 4 m m | 4.202; 4.202; 10.4151 90; 90; 90 | 183.9 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344613 | CIF | Cu Ga3 Pr | I 4 m m | 4.209; 4.209; 10.4885 90; 90; 90 | 185.811 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344619 | CIF | Cu Ga3 Nd | I 4 m m | 4.2194; 4.2194; 10.449 90; 90; 90 | 186.03 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4002641 | CIF | B2 H8 Mn | P -4 n 2 | 5.5526; 5.5526; 6.07271 90; 90; 90 | 187.23 | Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density Chemistry of Materials, 2016, 28, 274 |
| 1561370 | CIF | Cu0.25 In0.25 Se Zn0.5 | F -4 3 m | 5.73157; 5.73157; 5.73157 90; 90; 90 | 188.287 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 4344612 | CIF | Ce Cu Ga3 | I 4 m m | 4.2487; 4.2487; 10.4372 90; 90; 90 | 188.407 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561565 | CIF | Ba Co Na2 O8 V2 | P -3 m 1 | 5.5489; 5.5489; 7.0741 90; 90; 120 | 188.63 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 1561566 | CIF | Ba Fe Na2 O8 V2 | P -3 m 1 | 5.5731; 5.5731; 7.1034 90; 90; 120 | 191.07 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4344611 | CIF | Cu Ga3 La | I 4 m m | 4.2837; 4.2837; 10.4482 90; 90; 90 | 191.725 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344616 | CIF | Cu Eu Ga3 | I 4 m m | 4.2589; 4.2589; 10.6898 90; 90; 90 | 193.894 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561567 | CIF | Ba Mn Na2 O8 V2 | P -3 m 1 | 5.5921; 5.5921; 7.1628 90; 90; 120 | 193.98 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7039298 | CIF | B8 Fe3 Ta7 | P 6/m m m | 8.2788; 8.2788; 3.2934 90; 90; 120 | 195.48 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 7039297 | CIF | B8 Fe3 Nb7 | P 6/m m m | 8.3346; 8.3346; 3.2941 90; 90; 120 | 198.17 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 2311689 | CIF Paper | Mo O3 | P m c n | 3.6961; 3.96122; 13.85331 90; 90; 90 | 202.827 | Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 201-208 |
| 7226300 | CIF | Fe4.48 N2 S4 | I 4/m m m | 3.68795; 3.68795; 15.1134 90; 90; 90 | 205.557 | Lai, Xiaofang; Lin, Zhiping; Bu, Kejun; Wang, Xin; Zhang, Hui; Li, Dandan; Wang, Yingqi; Gu, Yuhao; Lin, Jianhua; Huang, Fu Qiang Ammonia and iron cointercalated iron sulfide (NH3)Fe0.25Fe2S2: hydrothermal synthesis, crystal structure, weak ferromagnetism and crossover from negative to positive magnetoresistance RSC Adv., 2016 |
| 4516751 | CIF | C H6 Br3 N Pb | P m -3 m | 5.9328; 5.9328; 5.9328 90; 90; 90 | 208.82 | Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science, 2016, 2, 201-209 |
| 1544637 | CIF | As H O5 Zn2 | P -1 | 5.8438; 6.7226; 5.6566 104.348; 92.32; 76.683 | 209.47 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1566652 | CIF | D2 O | P 61 2 2 | 6.32849; 6.32849; 6.05472 90; 90; 120 | 210.003 | del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L. Refined structure of metastable ice XVII from neutron diffraction measurements The Journal of Physical Chemistry C, 2016, 120, 26955 |
| 2107508 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.4422; 4.13054; 4.449 90; 90; 90 | 210.271 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 1561563 | CIF | Ba K2 Mn O8 V2 | P -3 m 1 | 5.734; 5.734; 7.3859 90; 90; 120 | 210.3 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7226950 | CIF | Li Mo O6 V | C 1 2/m 1 | 9.3531; 3.6477; 6.647 90; 111.643; 90 | 210.79 | Tao, Xutang; Wang, Zheng; Wu, Qian; Zhu, Min; Gao, Zeliang; Tian, Xiangxin; Xia, Sheng-Qing; sun, youxuan Top-seeded solution growth and Characterization of Raman crystal LiVMoO6 RSC Adv., 2016 |
| 2107509 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.46438; 4.13865; 4.44651 90; 90; 90 | 210.974 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2300622 | CIF HKL | Mn1.52 Ni2 Sn0.48 | P m m a | 8.6068; 5.6226; 4.3728 90; 90; 90 | 211.611 | Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy Journal of Applied Crystallography, 2016, 49, 1276-1283 |
| 2107510 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.48933; 4.14894; 4.44118 90; 90; 90 | 211.705 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107511 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.49417; 4.15096; 4.44175 90; 90; 90 | 211.924 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107512 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51746; 4.16192; 4.43267 90; 90; 90 | 212.479 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107513 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51965; 4.16265; 4.43427 90; 90; 90 | 212.633 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 7119152 | CIF | C2 H6 Cd | P 42/m n m | 7.195; 7.195; 4.118 90; 90; 90 | 213.2 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 2107514 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.54547; 4.17619; 4.42402 90; 90; 90 | 213.309 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107515 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.57949; 4.19611; 4.40769 90; 90; 90 | 214.164 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107516 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.62; 4.22357; 4.38333 90; 90; 90 | 215.125 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107517 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.64398; 4.24224; 4.36522 90; 90; 90 | 215.627 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107518 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.67175; 4.26761; 4.33976 90; 90; 90 | 216.166 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107519 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.70577; 4.30722; 4.29911 90; 90; 90 | 216.758 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107520 | CIF HKL Paper | Se Sn0.9816 | C m c m | 4.29978; 11.71878; 4.31479 90; 90; 90 | 217.414 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 4002657 | CIF | Al1.76 Na1.76 Sn4.24 | P 61 2 2 | 6.3984; 6.3984; 6.1529 90; 90; 120 | 218.149 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 4002656 | CIF | Al1.62 Na1.62 Sn4.38 | P 61 2 2 | 6.405; 6.405; 6.1427 90; 90; 120 | 218.24 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 2311337 | CIF | Bi0.857 Ca0.143 F0.143 La O0.857 S2 | P 4/n m m :2 | 4.0548; 4.0548; 13.37 90; 90; 90 | 219.82 | Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 845-848 |
| 7040681 | CIF | As0.96 Fe2.72 Te2 | P 63/m m c | 3.85091; 3.85091; 17.1367 90; 90; 120 | 220.082 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 7235026 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.7436; 6.7436; 5.6182 90; 90; 120 | 221.26 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 7235027 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.749; 6.749; 5.6244 90; 90; 120 | 221.86 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 4002686 | CIF | Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 | I 4/m | 8.176483; 8.176483; 3.35754 90; 90; 90 | 224.468 | Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes Chemistry of Materials, 2016, 28, 6822-6825 |
| 7226342 | CIF | C10 H8 N4 | P -1 | 3.7762; 5.8688; 10.3157 90.165; 95.411; 99.256 | 224.59 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1566660 | CIF | D2 O | P 42/n m c :2 | 6.2446; 6.2446; 5.76203 90; 90; 90 | 224.691 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566650 | CIF | D2 O | P m m n :2 | 6.245; 6.242; 5.77577 90; 90; 90 | 225.15 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566649 | CIF | D2 O | P -1 | 6.23416; 6.21697; 5.83377 90.033; 89.922; 89.999 | 226.103 | Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J. Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition The Journal of Chemical Physics, 2016, 145, 204501 |
| 7040680 | CIF | As0.96 Fe2.643 Te2 | P 63/m m c | 3.91052; 3.91052; 17.15815 90; 90; 120 | 227.232 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 4344991 | CIF | B3 Fe0.86 Rh5.12 Ru1.02 | P 63 m c | 7.4396; 7.4396; 4.742 90; 90; 120 | 227.3 | Shankhari, Pritam; Misse, Patrick R. N.; Mbarki, Mohammed; Park, Hyounmyung; Fokwa, Boniface P. T. Chemical Tuning of Magnetic Properties through Ru/Rh Substitution in Th7Fe3-type FeRh6-nRunB3 (n = 1-5) Series. Inorganic chemistry, 2016 |
| 1554026 | CIF | C H3 N3 O2 S | P -1 | 5.624; 5.9498; 7.6329 72.216; 70.897; 88.601 | 229 | Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices. The journal of physical chemistry. A, 2016, 120, 5590-5597 |
| 2241637 | CIF HKL Paper | C5 H11 Na O8 S | P 1 | 4.8558; 5.8496; 8.795 76.517; 81.528; 71.392 | 229.51 | Haines, Alan H.; Hughes, David L. Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate Acta Crystallographica Section E, 2016, 72, 628-631 |
| 7226343 | CIF | C10 H8 N4 | P -1 | 3.8373; 5.9282; 10.3247 90.671; 95.227; 100.693 | 229.73 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1561369 | CIF | Cu0.25 In0.25 Te Zn0.5 | F -4 3 m | 6.15203; 6.15203; 6.15203 90; 90; 90 | 232.839 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 7225889 | CIF | C7 H9 Cl N2 O4 | P 1 | 5.0265; 6.184; 8.1859 93.095; 102.264; 106.883 | 236.1 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 1561482 | CIF | Ga5.4 Ta1.6 | P 4/m b m | 9.3213; 9.3213; 2.7572 90; 90; 90 | 239.56 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1562025 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.7594; 7.6443; 5.4602 90; 90; 90 | 240.39 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562027 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.7952; 7.6218; 5.4605 90; 90; 90 | 241.19 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562029 | CIF | Mn O3 Pr | P n m a | 5.8276; 7.5986; 5.4589 90; 90; 90 | 241.73 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562028 | CIF | Mn O3 Pr | P n m a | 5.592; 7.8818; 5.5627 90; 90; 90 | 245.18 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562026 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.5936; 7.8829; 5.5627 90; 90; 90 | 245.28 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562024 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.5947; 7.8851; 5.5634 90; 90; 90 | 245.43 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 7225287 | CIF | C H6 I3 N Pb | P m -3 m | 6.2723; 6.2723; 6.2723 90; 90; 90 | 246.76 | Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability CrystEngComm, 2016, 18, 5257 |
| 1552014 | CIF | O5 Xe2 | P 4/n c c :2 | 4.9826; 4.9826; 9.9548 90; 90; 90 | 247.141 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2241454 | CIF HKL Paper | Cd Pt2 Sr2 | I m m m | 4.5596; 5.9351; 9.1874 90; 90; 90 | 248.63 | Nawawi, Effendi; Gulo, Fakhili; Köhler, Jürgen Crystal structure of Sr~2~CdPt~2~ containing linear platinum chains Acta Crystallographica Section E, 2016, 72, 144-146 |
| 1548468 | CIF | C H0.378 D5.622 I3 N Pb | P m -3 m | 6.30649; 6.30649; 6.30649 90; 90; 90 | 250.821 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
| 7226508 | CIF | C H2 Cl Hg N5 | P 1 21 1 | 5.8459; 6.9731; 6.1725 90; 94.27; 90 | 250.92 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7224729 | CIF | C10 H10 Br2 N2 | P -1 | 4.8011; 7.275; 7.759 71.06; 86.46; 78.64 | 251.3 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561368 | CIF | Cd0.5 Cu0.25 In0.25 Te | F -4 3 m | 6.34257; 6.34257; 6.34257 90; 90; 90 | 255.15 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 1551317 | CIF | C7 H14 N O4 Re | R 3 m :R | 6.36; 6.36; 6.36 89.912; 89.912; 89.912 | 257.26 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1561460 | CIF | Eu Nb O3 | I m m a | 5.67001; 8.01565; 5.68649 90; 90; 90 | 258.444 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561461 | CIF | Eu Nb O3 | I m m a | 5.68182; 8.03133; 5.6921 90; 90; 90 | 259.745 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561462 | CIF | Eu Nb O3 | I 4/m c m | 5.6869; 5.6869; 8.0514 90; 90; 90 | 260.389 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1551318 | CIF | C7 H14 N O4 Re | P m -3 m | 6.3881; 6.3881; 6.3881 90; 90; 90 | 260.68 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1543917 | CIF | Ca2 Ge3 Pt | P 6/m m m | 8.452; 8.452; 4.2188 90; 90; 120 | 260.999 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 4513730 | CIF | C8 H16 Cl2 Cr O2 | P -1 | 3.9645; 7.2398; 9.2813 86.918; 79.841; 87.105 | 261.61 | Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M. Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties Crystal Growth & Design, 2016, 16, 189 |
| 1543916 | CIF | Ca2 Ge3 Pd | P 6/m m m | 8.4921; 8.4921; 4.1922 90; 90; 120 | 261.82 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 7224728 | CIF | C10 H10 Br2 N2 | P -1 | 4.845; 7.453; 7.875 70.89; 86.82; 77.82 | 262.6 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7224800 | CIF | C8 H6 Br4 | P -1 | 4.3542; 7.3675; 8.714 72.481; 83.722; 84.917 | 264.52 | Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G. Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations CrystEngComm, 2016, 18, 3142 |
| 3500057 | CIF | Al2 As2 Cs2 O9 | P -1 | 7.2333; 8.2043; 5.0263 107.246; 108.268; 95.195 | 264.92 | Lubomir Smrcok; Yvon Laligant; Armel Le Bail Cs2Al2As2O9 solved ab initio from X-ray powder diffraction data in 1998 Personal communication to COD, 2016 |
| 1561414 | CIF | Gd O4 P | P 1 21/n 1 | 6.24937; 6.7397; 6.5189 90; 103.563; 90 | 266.912 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7119176 | CIF | Mn1.5 N O13 V4 | P 1 2/m 1 | 8.2011; 3.5207; 9.9129 90; 110.987; 90 | 267.234 | Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard Vacancy-induced manganese vanadates and their potential application to Li-ion batteries Chem.Commun., 2016, 52, 7509 |
| 2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
| 1561413 | CIF | Gd O4 P | P 1 21/n 1 | 6.2683; 6.7632; 6.5466 90; 103.672; 90 | 269.671 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7224727 | CIF | C10 H10 Br2 N2 | P -1 | 4.874; 7.567; 7.936 70.73; 86.64; 77.47 | 269.7 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561485 | CIF | Ga3 O1.5 Ta5 | P 63/m c m | 7.7023; 7.7023; 5.3062 90; 90; 120 | 272.62 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 7223287 | CIF | C13 H7 F4 N O | P 1 | 4.6457; 5.0544; 11.8597 100.967; 92.076; 92.987 | 272.72 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7224726 | CIF | C10 H10 Br2 N2 | P -1 | 4.8839; 7.622; 7.951 70.87; 86.78; 77.39 | 272.8 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561412 | CIF | Gd O4 P | P 1 21/n 1 | 6.2979; 6.80019; 6.5923 90; 103.833; 90 | 274.139 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 3500060 | CIF | As2 H8 Na O14 V2 | P -1 | 6.428; 6.4306; 6.9534 91.823; 107.035; 90.076 | 274.66 | Armel Le Bail Na(VO)2(AsO4)2(H20)4 isostructural with the phosphate Na(VO)2(PO4)2(H20)4 Personal communication to COD, 2016 |
| 7224725 | CIF | C10 H10 Br2 N2 | P -1 | 4.8986; 7.6614; 7.989 70.464; 87.005; 77.176 | 275.44 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7702107 | CIF | C4 H10 Cl3 Nb O S2 | P 1 | 6.7898; 6.9745; 7.2523 108.917; 99.404; 113.677 | 279.93 | Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16262-16274 |
| 1561411 | CIF | Gd O4 P | P 1 21/n 1 | 6.33571; 6.8484; 6.6516 90; 104.023; 90 | 280.008 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 1547817 | CIF | Cr O4 Sr | P 1 21/n 1 | 6.68; 6.881; 6.118 90; 92.33; 90 | 280.982 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 4347867 | CIF | H4 N2 Yb | I 41/a m d :1 | 5.19598; 5.19598; 10.4129 90; 90; 90 | 281.13 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 7226352 | CIF | Co Li O4 P | P n m a | 10.1852; 5.9114; 4.6913 90; 90; 90 | 282.46 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 1543899 | CIF | Cr2 Cu O4 | I 41/a m d :2 | 6.0287; 6.0287; 7.7803 90; 90; 90 | 282.777 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 7226350 | CIF | Co Li O4 P | P n m a | 10.193; 5.9188; 4.6959 90; 90; 90 | 283.31 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 7226351 | CIF | Co Li O4 P | P n m a | 10.1931; 5.9195; 4.6961 90; 90; 90 | 283.35 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 2241733 | CIF HKL Paper | Ge Li2 Mo3 O8 | P 63 m c | 5.7268; 5.7268; 9.9841 90; 90; 120 | 283.57 | Gall, Philippe; Gougeon, Patrick Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units Acta Crystallographica Section E, 2016, 72, 995-997 |
| 2020465 | CIF HKL | C5 H6 N2 O3 | P -1 | 4.874; 7.663; 8.325 66.97; 88.09; 87.07 | 285.7 | Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C, 2016, 72, 379-388 |
| 1561620 | CIF | Se8 U Yb3 | P b c m | 6.9937; 7.4807; 5.4967 90; 90; 90 | 287.575 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561619 | CIF | Er3 Se8 U | P b c m | 7.036; 7.5483; 5.4672 90; 90; 90 | 290.362 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561531 | CIF | In K S4 Sn | R -3 m :H | 3.698; 3.698; 24.52 90; 90; 120 | 290.4 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 7039283 | CIF | C6 D12 N2 Pd S4 | P -1 | 6.4754; 7.0391; 7.6797 65.235; 67.183; 84.974 | 291.81 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 7039284 | CIF | C6 H12 N2 Pd S4 | P -1 | 6.482; 7.034; 7.68 65.47; 66.92; 84.65 | 292.05 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 2020661 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0535; 5.0535; 13.2229 90; 90; 120 | 292.44 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 1547818 | CIF | Cr O4 Sr | I 41/a :2 | 4.97; 4.97; 11.844 90; 90; 90 | 292.557 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7236330 | CIF | C4 H8 N10 O8 | P -1 | 5.7692; 7.321; 8.4065 64.804; 87.429; 67.479 | 293.79 | He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts Journal of Materials Chemistry A, 2016, 4, 8969 |
| 7041329 | CIF | C4 H2 Gd O6 | P -1 | 6.874; 6.987; 7.449 86.725; 64.422; 67.814 | 296.4 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 2311093 | CIF | Hf Na2 O7 Si2 | P -1 | 6.6123; 8.7948; 5.41074 92.603; 94.0843; 71.3262 | 297.249 | Massoni, Nicolas; Pierrick, Chevreux Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement Acta Crystallographica, Section e, 2016, 72, 1434 |
| 1561383 | CIF | Ca Ga1.14 Sn0.86 | P 63/m m c | 4.4233; 4.4233; 17.601 90; 90; 120 | 298.24 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561543 | CIF | Cl Mo Na3 O4 | P 4/n m m :2 | 7.4942; 7.4942; 5.3409 90; 90; 90 | 299.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 8106868 | CIF | C10 H10 Br2 N2 Pd | P -1 | 5.6549; 7.021; 7.7723 80.031; 84.601; 89.222 | 302.58 | Ha, Kwang Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 333-334 |
| 1561544 | CIF | Cl Na3 O4 W | P 4/n m m :2 | 7.5181; 7.5181; 5.36 90; 90; 90 | 302.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 3500037 | CIF HKL | C4 H5 Na O6 | P 1 21 1 | 5.2467; 7.783; 7.582 90; 101.39; 90 | 303.5 | Armel Le Bail Personal communication to COD, 2016 |
| 7225355 | CIF | C12 H10 O4 S2 | P -1 | 3.9254; 6.0049; 13.818 77.96; 88.838; 72.527 | 303.54 | Muthumari, Subramanian; Ramesh, Rengan Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium RSC Adv., 2016, 6, 52101 |
| 7223858 | CIF | C6 H4 F8 N2 O6 | P -1 | 5.1438; 6.2912; 9.9448 91.605; 104.35; 101.944 | 303.96 | Dharavath, Srinivas; Ghule, Vikas Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials RSC Adv., 2016 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 4125021 | CIF | O14 P2 Sr3 Te Zn3 | P 3 2 1 | 8.2767; 8.2767; 5.1763 90; 90; 120 | 307.09 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542970 | CIF | C14 H8 Br2 F2 | P -1 | 4.037; 5.968; 13.092 79.09; 87.09; 85.96 | 308.7 | Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui Fluorodiphenylethene-Containing Donor‒Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors Macromolecules, 2016, 49, 2582 |
| 4347557 | CIF | C10 H10 F6 N2 O2 | P -1 | 5.7104; 7.3062; 8.2087 109.754; 101.386; 97.169 | 309.1 | Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry, 2016, 55, 5422-5429 |
| 7224088 | CIF | C8 H14 Ni O12 | P -1 | 5.142; 7.2793; 9.1121 108.025; 105.191; 92.14 | 310.38 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7038117 | CIF | Bi0.97 Mo0.07 O4 V0.93 | I 1 2/a 1 | 5.1153; 11.7022; 5.1878 90; 90.244; 90 | 310.54 | Terebilenko, Kateryna V.; Bychkov, Konstantin L.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Pavliuk, Mariia V.; Thapper, Anders; Tokmenko, Inna I.; Nasieka, Iurii M.; Strelchuk, Viktor V. Structural transformation of Bi1-x/3V1-xMoxO4 solid solutions for light-driven water oxidation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3895-3904 |
| 1547277 | CIF | Fe5.94 Mg1.06 O9 | C 1 2/m 1 | 9.6901; 2.8943; 11.4397 90; 102.045; 90 | 313.77 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 7224089 | CIF | C8 H14 Co O12 | P -1 | 5.1742; 7.2742; 9.2053 108.809; 105.003; 92.409 | 313.79 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224087 | CIF | C8 H14 O12 Zn | P -1 | 5.1749; 7.2736; 9.1901 108.304; 105.213; 92.434 | 313.95 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 1547276 | CIF | Fe7 O9 | C 1 2/m 1 | 9.696; 2.8947; 11.428 90; 101.69; 90 | 314.1 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 2020507 | CIF HKL Paper | C6 H9 N3 O | P -1 | 6.613; 7.018; 7.078 97.374; 104.521; 92.038 | 314.6 | Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one Acta Crystallographica Section C, 2016, 72 |
| 7040528 | CIF | Ca1.33 Er0.07 La0.67 Mo4 Na1.33 O16 Yb0.6 | I 41/a :2 | 5.242071; 5.242071; 11.46775 90; 90; 90 | 315.126 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 2020535 | CIF HKL | B Ge2 Li4 | R 3 m :H | 4.4603; 4.4603; 18.3197 90; 90; 120 | 315.63 | Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C, 2016, 72, 561-565 |
| 4125023 | CIF | O14 P2 Pb3 Te Zn3 | P 3 2 1 | 8.3831; 8.3831; 5.193 90; 90; 120 | 316.05 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 4125025 | CIF | O14 P2 Pb3 W Zn3 | P 3 2 1 | 8.4151; 8.4151; 5.17 90; 90; 120 | 317.06 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1561426 | CIF | Mo Na0.49 O4 Sm0.51 | I 41/a :2 | 5.256; 5.256; 11.4921 90; 90; 90 | 317.48 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 4348074 | CIF | C F3 N O3 P Zr | P -1 | 5.41026; 5.79443; 10.36215 87.4743; 78.4408; 89.2386 | 317.946 | Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization. Inorganic chemistry, 2016, 55, 6278-6285 |
| 7224090 | CIF | C8 H14 Fe O12 | P -1 | 5.2115; 7.3307; 9.2529 109.019; 105.339; 92.53 | 318.98 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 4125024 | CIF | Mg3 O14 P2 Pb3 Te | P 3 2 1 | 8.4072; 8.4072; 5.2158 90; 90; 120 | 319.27 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542454 | CIF HKL Paper | C6 H6 Br N | P 1 21/m 1 | 6.1889; 6.614; 7.835 90; 93.503; 90 | 320.11 | Roy, Mrittika; Golen, James A.; Manke, David R. 2-Bromo-5-methylpyridine IUCrData, 2016, 1, x160090 |
| 7040530 | CIF | Ca1.33 Er0.13 La0.93 Mo4 Na1.33 O16 Yb0.27 | I 41/a :2 | 5.26749; 5.26749; 11.53772 90; 90; 90 | 320.131 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7039066 | CIF | C2 H4 As F6 N | P 1 21 1 | 5.2169; 6.5905; 9.3342 90; 92.267; 90 | 320.68 | Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O. Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8494-8499 |
| 1544461 | CIF | Ce Li O8 W2 | I 41/a | 5.294; 5.294; 11.498 90; 90; 90 | 322.2 | Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan, 2016, 124, 938-942 |
| 7040531 | CIF | Ca1.33 Er0.27 La1.07 Mo4 Na1.33 O16 | I 41/a :2 | 5.28062; 5.28062; 11.57258 90; 90; 90 | 322.701 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 1561427 | CIF | Eu0.6 Mo Na0.4 O4 | I 41/a :2 | 5.2797; 5.2797; 11.5869 90; 90; 90 | 322.99 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1561425 | CIF | Mo Na0.5 Nd0.5 O4 | I 41/a :2 | 5.2854; 5.2854; 11.5675 90; 90; 90 | 323.14 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
| 2241808 | CIF HKL Paper | Ca H4 O8 V2 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.36 | Kobsch, Anaïs; Downs, Robert T.; Domanik, Kenneth J. Redetermination of metarossite, CaV^5+^~2~O~6~·2H~2~O Acta Crystallographica Section E, 2016, 72, 1280-1284 |
| 4130071 | CIF | C H6 Br N6 | P 63/m | 7.7196; 7.7196; 6.2784 90; 90; 120 | 324.02 | Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs). Journal of the American Chemical Society, 2016, 138, 2823-2828 |
| 7041328 | CIF | C4 H4 Gd O7 | P -1 | 6.831; 7.534; 7.812 98.063; 113.748; 110.792 | 324.6 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 7040795 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.0794; 8.6924; 7.7046 90; 107.338; 90 | 324.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7224581 | CIF | C15 H18 N O3 | P 1 | 5.937; 5.9425; 10.0505 105.428; 101.284; 99.757 | 325.87 | Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives RSC Adv., 2016 |
| 7226951 | CIF | C14 H18 O4 Pd | P -1 | 7.2285; 7.6427; 7.6586 62.479; 67.121; 63.114 | 325.9 | Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H. Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application RSC Adv., 2016, 6, 102557 |
| 1561424 | CIF | Mo Na0.5 O4 Pr0.5 | I 41/a :2 | 5.3009; 5.3009; 11.6089 90; 90; 90 | 326.2 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040529 | CIF | Ca1.33 La1.33 Mo4 Na1.33 O16 | I 41/a :2 | 5.29916; 5.29916; 11.62227 90; 90; 90 | 326.366 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7224091 | CIF | C8 H14 Mn O12 | P -1 | 5.2823; 7.3398; 9.3651 109.765; 105.152; 92.454 | 326.37 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7040794 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.1849; 7.2517; 8.875 90; 100.857; 90 | 327.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040798 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.101; 8.673; 7.747 90; 106.933; 90 | 327.9 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 4348578 | CIF | C3 H9 B F3 P | P 1 21/m 1 | 5.838; 9.17; 6.675 90; 113.359; 90 | 328.1 | Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S. Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands. Inorganic chemistry, 2016, 55, 8852-8864 |
| 4125022 | CIF | Ba3 O14 P2 Te Zn3 | P 3 2 1 | 8.4744; 8.4744; 5.2818 90; 90; 120 | 328.5 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 7040797 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.113; 8.672; 7.753 90; 106.996; 90 | 328.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040800 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.108; 8.677; 7.755 90; 106.812; 90 | 329 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040799 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.11; 8.6803; 7.748 90; 106.73; 90 | 329.1 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 1544330 | CIF HKL | Ho0.07 La0.67 Na1.33 O16 Sr1.33 W4 Yb0.6 | I 41/a :2 | 5.3257; 5.3257; 11.62354 90; 90; 90 | 329.679 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561423 | CIF | Ce0.51 Mo Na0.49 O4 | I 41/a :2 | 5.3173; 5.3173; 11.6652 90; 90; 90 | 329.82 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040796 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.201; 7.356; 8.839 90; 101.169; 90 | 331.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7226833 | CIF | C3 H7 N Ni O6 | P 1 21 1 | 6.306; 8.0599; 7.25 90; 115.6; 90 | 332.3 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 2020389 | CIF HKL | C12 H14 Br2 N2 | P -1 | 5.7608; 6.4257; 9.6848 80.7074; 81.2351; 70.8554 | 332.33 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 4125026 | CIF | O14 Pb3 Te V2 Zn3 | P 3 2 1 | 8.608; 8.608; 5.186 90; 90; 120 | 332.8 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1544329 | CIF HKL | Ho0.13 La0.93 Na1.33 O16 Sr1.33 W4 Yb0.27 | I 41/a :2 | 5.34372; 5.34372; 11.67359 90; 90; 90 | 333.343 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561422 | CIF | La0.52 Mo Na0.48 O4 | I 41/a :2 | 5.3414; 5.3414; 11.7393 90; 90; 90 | 334.93 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1544328 | CIF HKL | Ho0.27 La1.07 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.360174; 5.360174; 11.71105 90; 90; 90 | 336.476 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 7224709 | CIF | C12 H10 Cd O6 P2 | P -1 | 16.1586; 5.60337; 4.46652 119.604; 94.4432; 101.789 | 336.56 | Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska Cadmium phenylphosphonates: preparation, characterisation and in situ investigation RSC Adv., 2016 |
| 7055713 | CIF | B Gd3 O3 S3 | P -1 | 3.9725; 7.5945; 11.1824 91.402; 91.093; 90.206 | 337.2 | Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd) New J. Chem., 2016, 40, 6720 |
| 7118967 | CIF | C7 H3 Cl F2 O | P -1 | 6.859; 7.2006; 8.0365 94.613; 104.275; 115.906 | 337.85 | Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra 'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids Chem.Commun., 2016, 52, 7225 |
| 1545547 | CIF | Bi2 O3 | P -4 21 c | 7.7299; 7.7299; 5.6587 90; 90; 90 | 338.115 | Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports, 2016, 6, 39561-39561 |
| 1542920 | CIF HKL | B4 Mn5.64 Ni6.36 O20 | P b a m | 9.1757; 12.3163; 2.9978 90; 90; 90 | 338.78 | Moshkina Evgeniya; Sofronova Svetlana; Veligzhanin Alexey; Molokeev Maxim; Nazarenko Ilya; Eremin Evgeniy; Bezmaternykh Leonard Magnetism and Structure of Ni2MnBO5 ludwigite Journal of Magnetism and Magnetic Materials, 2016, 402, 69-75 |
| 4348338 | CIF | C4 H6 O4 Pb | P 1 21/m 1 | 4.792; 7.148; 10.058 90; 99.48; 90 | 339.81 | Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence. Inorganic chemistry, 2016, 55, 8576-8586 |
| 7039324 | CIF | C3 H3 I N4 O2 | P -1 | 7.0649; 7.2001; 7.8953 70.362; 64.462; 86.027 | 339.95 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 1544327 | CIF HKL | La1.33 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.37783; 5.37783; 11.75716 90; 90; 90 | 340.029 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1547819 | CIF | Cr O4 Sr | P 1 21/n 1 | 7.065; 7.376; 6.741 90; 103.1; 90 | 342.141 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7039788 | CIF | Ba5 Nb4 O15 | P -3 m 1 | 5.7946; 5.7946; 11.7876 90; 90; 120 | 342.77 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039792 | CIF | Ba5 O15 Ta4 | P -3 m 1 | 5.7892; 5.7892; 11.8202 90; 90; 120 | 343.078 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039789 | CIF | Ba5 Nb3 O15 Ta | P -3 m 1 | 5.79575; 5.79575; 11.7965 90; 90; 120 | 343.165 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039790 | CIF | Ba5 Nb2 O15 Ta2 | P -3 m 1 | 5.7947; 5.7947; 11.803 90; 90; 120 | 343.23 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039791 | CIF | Ba5 Nb O15 Ta3 | P -3 m 1 | 5.79455; 5.79455; 11.8158 90; 90; 120 | 343.584 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7055443 | CIF | Al4.68 B8 La2 O22 | P -6 2 m | 4.6149; 4.6149; 18.72 90; 90; 120 | 345.27 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge New J. Chem., 2016, 40, 4870 |
| 4344555 | CIF | Ca2 N O3 P | P n m a | 6.7954; 5.4395; 9.4167 90; 90; 90 | 348.07 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 1544460 | CIF | Al7.61 N6.39 O2.61 Si0.39 | P 63/m m c | 3.05831; 3.05831; 42.9942 90; 90; 120 | 348.26 | Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K. Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6) Journal of the Ceramic Society of Japan, 2016, 124, 875-880 |
| 9017709 | CIF | Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 | P -1 | 5.316; 10.62; 7.118 107.33; 111.33; 72.22 | 348.453 | Grey, I. E.; Keck, E.; Mumme, W. G.; Pring, A.; Macrae, C. M.; Glenn, A. M.; Davidson, C. J.; Shanks, F. L.; Mills, S. J. Kummerite, Mn2+Fe3+Al(PO4)2(OH)2*8H2O, a new laueite-group mineral from the Hagendorf Sud pegmatite, Bavaria, with ordering of Al and Fe3+ Mineralogical Magazine, 2016, 80, 1243-1254 |
| 1561357 | CIF | Cl1.5 Cu1.5 O1.5 Te0.5 | P -1 | 6.2477; 6.2509; 9.408 80.674; 75.611; 80.849 | 348.47 | Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W. Porous layered and open-framework mixed-valence copper tellurites Journal of Solid State Chemistry, 2016, 243, 215-220 |
| 7225700 | CIF | C2.667 H6 N0.667 O0.667 S1.333 | P 1 | 6.5991; 6.9097; 8.2602 109.839; 95.545; 94.714 | 349.97 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 1543233 | CIF HKL Paper | C8 H4 Cl N O2 | P 1 21 1 | 5.6231; 4.993; 12.5145 90; 91.916; 90 | 351.16 | Golen, James A.; Manke, David R. 6-Chloro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160690 |
| 1551314 | CIF | Fe4 O5 | P 1 21/m 1 (c,2*a+c,b) | 2.861; 9.8123; 12.5425 90; 90; 90 | 352.11 | Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Nature Chemistry, 2016, 8, 501-508 |
| 1542881 | CIF HKL Paper | C7 H5 Br O3 | P -1 | 3.9283; 5.9578; 15.1246 92.925; 90.62; 94.71 | 352.28 | Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P. 4-Bromo-2-hydroxybenzoic acid IUCrData, 2016, 1, x160325 |
| 7226832 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.1208; 7.1208; 8.0513 90; 90; 120 | 353.55 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1552015 | CIF | O Xe2 | C 1 2/m 1 | 10.0009; 3.206; 11.0813 90; 93.325; 90 | 354.7 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 9017885 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.97; 7.595; 7.632 90; 118.58; 90 | 354.787 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017884 | CIF | Co0.858 H2 Mg0.142 O5 S | C 1 2/c 1 | 6.963; 7.601; 7.633 90; 118.5; 90 | 355.027 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017883 | CIF | Co0.509 H2 Mg0.491 O5 S | C 1 2/c 1 | 6.943; 7.614; 7.639 90; 118.33; 90 | 355.461 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.49Co0.51 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017882 | CIF | Co0.279 H2 Mg0.721 O5 S | C 1 2/c 1 | 6.929; 7.623; 7.641 90; 118.19; 90 | 355.724 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.76Co0.28 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017881 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.91; 7.634; 7.643 90; 118; 90 | 355.983 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 1561624 | CIF | C12 H8 Cl2 Hg N6 | P -1 | 7.171; 7.6105; 7.8242 115.752; 93.948; 107.64 | 356.37 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 7226831 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.161; 7.161; 8.0474 90; 90; 120 | 357.38 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7038683 | CIF | C12 H4 Cl2 F6 N4 | P -1 | 4.7813; 6.6169; 11.691 75.795; 86.893; 88.052 | 357.95 | Kottelat, E.; Ruggi, A.; Zobi, F. Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6920-6927 |
| 2020388 | CIF HKL Paper | C12 H18 Cl2 N2 O2 | P -1 | 5.3844; 7.3682; 9.7405 104.395; 102.234; 97.2263 | 359.25 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 7236168 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6604; 7.4079; 10.4566 90; 92.007; 90 | 360.78 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7037846 | CIF | C4 H4 N8 O2 | P 1 21/c 1 | 7.581; 6.325; 7.891 90; 107.344; 90 | 361.2 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 1543603 | CIF | C8 H14 Cl2 I2 N2 O2 | P -1 | 5.6207; 6.9699; 10.1484 94.689; 105.261; 106.876 | 361.61 | Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A. Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides. The journal of physical chemistry. A, 2016, 120, 4179-4190 |
| 1544192 | CIF HKL | C16 H10 N6 O2 | P -1 | 5.1939; 8.0697; 9.1482 106.819; 96.077; 92.804 | 363.69 | Posel, Maciej; Stoeckli-Evans, Helen (<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide IUCrData, 2016, 1, x161464 |
| 7226257 | CIF | Ga2.4 K2.4 S8 Si1.6 | I 4/m c m | 7.891; 7.891; 5.866 90; 90; 90 | 365.26 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7226836 | CIF | C3 H7 Fe N O6 | P 1 21 1 | 6.668; 8.298; 7.393 90; 116.64; 90 | 365.6 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1554044 | CIF | C10 H14 Co N8 O2 | P -1 | 6.4415; 7.3787; 8.5998 105.661; 107.985; 96.254 | 366 | Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer. The journal of physical chemistry. B, 2016, 120, 6803-6811 |
| 7055524 | CIF | C12 H12 N2 O8 U | P -1 | 5.6911; 7.4024; 9.8667 106.561; 105.897; 99.948 | 368.73 | Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption New J. Chem., 2016, 40, 6077 |
| 7226835 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.26097; 7.26097; 8.0811 90; 90; 120 | 368.969 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7226121 | CIF HKL | Bi2 Ca | C m c m | 4.697; 17.069; 4.6127 90; 90; 90 | 369.81 | Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T. Superconductivity in CaBi2 Physical Chemistry Chemical Physics, 2016, 18, 21737-21745 |
| 7226256 | CIF | Ga2.4 Ge1.6 K2.4 S8 | I 4/m c m | 7.8824; 7.8824; 5.9557 90; 90; 90 | 370.04 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7040216 | CIF | Fe3.19 Mn0.81 O16 Si2 Sn7 | P -3 m 1 | 6.83663; 6.83663; 9.14429 90; 90; 120 | 370.139 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 7226834 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.2864; 7.2864; 8.05248 90; 90; 120 | 370.243 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
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