Crystallography Open Database

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2107290 CIF
HKL
Paper
B2 VP 6/m m m2.9977; 2.9977; 3.056
90; 90; 120
23.783Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
7234258 CIFAl NP 63 m c3.081; 3.081; 5.031
90; 90; 120
41.359Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu
Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition
Journal of Materials Chemistry C, 2015, 3, 5307-5315
7234259 CIFGa NP 63 m c3.1972; 3.1972; 5.207
90; 90; 120
46.1Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu
Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition
Journal of Materials Chemistry C, 2015, 3, 5307-5315
1561896 CIFCl0.58 H1.42 Mg0.3 Ni0.7 O1.42P -3 m 13.195741; 3.195741; 5.50343
90; 90; 120
48.6751Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela
A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3
Journal of Solid State Chemistry, 2015, 228, 131-140
2240649 CIF
HKL
Ge O3 SrP m -3 m3.7978; 3.7978; 3.7978
90; 90; 90
54.777Nakatsuka, Akihiko; Arima, Hiroshi; Ohtaka, Osamu; Fujiwara, Keiko; Yoshiasa, Akira
Crystal structure of SrGeO~3~ in the high-pressure perovskite-type phase
Acta Crystallographica Section E, 2015, 71, 502-504
4002217 CIFCr0.5 O3 Pb Re0.5P m -3 m3.93936; 3.93936; 3.93936
90; 90; 90
61.1332Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha
Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite
Chemistry of Materials, 2015, 27, 4450
2310780 CIF
Paper
Bi0.097 Fe1.049 O2.585 Pb0.856I 1 2/m 13.93492; 3.93193; 4.00171
90; 92.603; 90
61.85Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310781 CIF
Paper
Bi0.195 Fe1.046 O2.633 Pb0.763I 1 2/m 13.92822; 3.92661; 4.05202
90; 92.209; 90
62.454Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310782 CIF
Paper
Bi0.292 Fe1.042 O2.675 Pb0.671I 1 2/m 13.92131; 3.91951; 4.09255
90; 91.913; 90
62.866Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310783 CIF
Paper
Bi0.428 Fe1.034 O2.736 Pb0.541I 1 2/m 13.9146; 3.91271; 4.13775
90; 91.554; 90
63.353Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310784 CIF
Paper
Bi0.545 Fe1.027 O2.783 Pb0.428I 1 2/m 13.90908; 3.90585; 4.16564
90; 91.318; 90
63.585Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
4124261 CIFFe SP 4/n m m :23.6802; 3.6802; 5.0307
90; 90; 90
68.135Lai, Xiaofang; Zhang, Hui; Wang, Yingqi; Wang, Xin; Zhang, Xian; Lin, Jianhua; Huang, Fuqiang
Observation of Superconductivity in Tetragonal FeS.
Journal of the American Chemical Society, 2015, 137, 10148-10151
7033669 CIFBa Co O2.22P m -3 m4.0868; 4.0868; 4.0868
90; 90; 90
68.257Mentré, Olivier; Iorgulescu, Mihaela; Huvé, Marielle; Kabbour, Houria; Renaut, Nicolas; Daviero-Minaud, Sylvie; Colis, Silviu; Roussel, Pascal
BaCoO2.22: the most oxygen-deficient certified cubic perovskite.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10728-10737
4512485 CIFBa Li0.2 N0.19 O2.81 Ta0.8P m -3 m4.10778; 4.10778; 4.10778
90; 90; 90
69.3141Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
4512484 CIFBa N0.3 Na0.18 O2.7 Ta0.82P m -3 m4.13059; 4.13059; 4.13059
90; 90; 90
70.4752Kim, Young-Il; Paik, Younkee; Avdeev, Maxim
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Crystal Growth & Design, 2015, 15, 53
4343328 CIFAl B4 Cr3P m m m2.9556; 2.9778; 8.0539
90; 90; 90
70.88Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
2107291 CIF
HKL
Paper
B VC m c m3.0616; 8.0495; 2.9733
90; 90; 90
73.275Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
9017114 CIFC Ca0.04 Mn0.96 O3P -12.928; 4.816; 5.545
101.71; 94.99; 89.9
76.264Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa
American Mineralogist, 2015, 100, 2625-2629
9017115 CIFC Ca0.04 Mn0.96 O3P -12.934; 4.839; 5.557
101.87; 95.29; 89.73
76.872Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa
American Mineralogist, 2015, 100, 2625-2629
9017113 CIFC Ca0.04 Mn0.96 O3P -12.936; 4.841; 5.568
100.82; 94.93; 90.18
77.429Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa
American Mineralogist, 2015, 100, 2625-2629
9017116 CIFC Ca0.04 Mn0.96 O3P -12.94; 4.856; 5.584
101.99; 95.58; 89.65
77.604Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa
American Mineralogist, 2015, 100, 2625-2629
9017117 CIFC Ca0.04 Mn0.96 O3P -12.9539; 4.843; 5.588
101.78; 95.09; 90.45
77.921Merlini, M.; Hanfland, M.; Gemmi, M.
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa
American Mineralogist, 2015, 100, 2625-2629
4002154 CIFFe SeP 4/n m m :13.77233; 3.77233; 5.52249
90; 90; 90
78.5876Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002152 CIFFe SeP 4/n m m :13.77354; 3.77354; 5.52226
90; 90; 90
78.635Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002153 CIFFe0.925 SeP 4/n m m :13.78372; 3.78372; 5.512
90; 90; 90
78.913Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4002151 CIFFe0.91 SeP 4/n m m :13.78733; 3.78733; 5.5144
90; 90; 90
79.098Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Chemistry of Materials, 2015, 27, 588
4343333 CIFB MoC m c m3.1418; 8.4961; 3.0721
90; 90; 90
82.004Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343330 CIFAl B2 Fe2C m m m2.9217; 10.9991; 2.8563
90; 90; 90
91.79Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343335 CIFAl B2 Mn2C m m m2.918; 11.0379; 2.8932
90; 90; 90
93.19Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
4343334 CIFAl B2 Cr2C m m m2.9373; 11.0513; 2.9675
90; 90; 90
96.328Ade, Martin; Hillebrecht, Harald
Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.
Inorganic chemistry, 2015, 54, 6122-6135
2300558 CIFNi SiP n m a5.1731; 3.3381; 5.6049
90; 90; 90
96.79Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka
The equation of state of the <i>Pmmn</i> phase of NiSi
Journal of Applied Crystallography, 2015, 48, 1914-1920
7037053 CIFF La OP 4/n m m :14.0847; 4.0847; 5.8295
90; 90; 90
97.264Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe
Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20675-20684
4346636 CIFC Cd F K O3P -6 m 25.1324; 5.1324; 4.4324
90; 90; 120
101.11Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao
K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.
Inorganic chemistry, 2015, 54, 10407-10414
4344784 CIFD3.32 Ga2 Nd2P 1 21/m 14.1103; 4.1662; 6.4641
90; 108.605; 90
104.91Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin
Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.
Inorganic chemistry, 2015, 55, 345
7222460 CIFSnI 41/a m d :15.8393; 5.8392763; 3.1876
90; 90; 90
108.689Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen
In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries
CrystEngComm, 2015, 17, 8500
4342220 CIFMn O6 Sb2P -3 1 m5.20649; 5.20649; 4.66276
90; 90; 120
109.462Nalbandyan, Vladimir B.; Zvereva, Elena A.; Nikulin, Alexey Yu; Shukaev, Igor L.; Whangbo, Myung-Hwan; Koo, Hyun-Joo; Abdel-Hafiez, Mahmoud; Chen, Xiao-Jia; Koo, Changhyun; Vasiliev, Alexander N.; Klingeler, Rüdiger
New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties.
Inorganic chemistry, 2015, 54, 1705-1711
7221650 CIFAg2 SI m -3 m4.8741; 4.8741; 4.8741
90; 90; 90
115.793Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.
An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.
Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501
2107292 CIF
HKL
Paper
B4 V3I m m m2.9821; 3.0601; 13.2251
90; 90; 90
120.686Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri
On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~
Acta Crystallographica Section B, 2015, 71, 777-787
7220201 CIFFe1.15 H Li0.85 O SP 4/n m m :23.6886; 3.6886; 8.9149
90; 90; 90
121.29Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang
Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]
RSC Adv., 2015, 5, 38248
2019750 CIF
HKL
Paper
C B2 Li2P -4 m 24.1389; 4.1389; 7.1055
90; 90; 90
121.72Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut
A new tetragonal structure type for Li~2~B~2~C
Acta Crystallographica Section C, 2015, 71
7116665 CIFFe1.172 H Li0.828 O SP 4/n m m :13.7038; 3.7038; 8.8852
90; 90; 90
121.888U. Pachmayr; D. Johrendt
[(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1)
Chem.Commun., 2015, 51, 4689
4341423 CIFC0.33 Al O3.66 YP 63/m m c3.6798; 3.6798; 10.496
90; 90; 120
123.084Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.
True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3.
Inorganic chemistry, 2015, 54, 837-844
7117021 CIFGd H3 O3P 63/m6.2993; 6.2993; 3.6057
90; 90; 120
123.91Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng
Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2
Chem.Commun., 2015, 51, 7317
1520202 CIFMn O4 WP 1 2/c 14.6644; 5.468; 4.8614
90; 91.603; 90
123.94Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.
High-pressure structural phase transition in MnWO4
Physical Review B, 2015, 91, 104109
4341424 CIFC0.33 Al O3.66 YP 63/m m c3.7076; 3.7076; 10.552
90; 90; 120
125.618Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.
True Composition and Structure of Hexagonal "YAlO3", Actually Y3Al3O8CO3.
Inorganic chemistry, 2015, 54, 837-844
2300499 CIF
Paper
K0.5 Na0.5 Nb O3A m m 23.9443; 5.6425; 5.6763
90; 90; 90
126.33Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.
Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~
Journal of Applied Crystallography, 2015, 48
1520201 CIFMn O4 WP 1 2/c 14.6888; 5.536; 4.8844
90; 91.415; 90
126.75Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.
High-pressure structural phase transition in MnWO4
Physical Review B, 2015, 91, 104109
4342295 CIFFe1.19 H Li0.79 O SeP 4/n m m :23.7677; 3.7677; 9.1552
90; 90; 90
129.96Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342290 CIFFe1.19 H Li0.79 O SeP 4/n m m :23.7709; 3.7709; 9.1562
90; 90; 90
130.198Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964
4342288 CIFFe1.17 H Li0.8 O SeP 4/n m m :23.7782; 3.7782; 9.1728
90; 90; 90
130.94Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.
Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.
Inorganic chemistry, 2015, 54, 1958-1964

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