Crystallography Open Database

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1544859 CIFC H0.85 Ce0.49 Eu0.01 F0.15 Gd0.01 La0.21 Nd0.16 O3.85 Pr0.06 Sm0.02 Th0.01 Y0.03P -612.473; 12.473; 9.9607
90; 90; 120
1342Michiba, K.; Miyawaki, R.; Minakawa, T.; Terada, Y.; Nakai, I.; Matsubara, S.
Crystal structure of hydroxylbastnasite-(Ce) from Kamihouri, Miyazaki Prefecture, Japan
Journal of Mineralogical and Petrological Sciences, 2013, 108, 326-334
1563393 CIFC18 La14 Mn3 SnP -68.7558; 8.7558; 10.483
90; 90; 120
696Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.
Structural relationships between new carbide La14Sn(MnC6)3 and fully ordered La11(MnC6)3
Journal of Solid State Chemistry, 2010, 183, 2987-2994
1563394 CIFC18 La14 Mn3 SnP -68.75; 8.75; 10.464
90; 90; 120
693.816Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.
Structural relationships between new carbide La14Sn(MnC6)3 and fully ordered La11(MnC6)3
Journal of Solid State Chemistry, 2010, 183, 2987-2994
1571332 CIFBa Ga6 Mg6 Se16P -617.7326; 17.7326; 7.7899
90; 90; 120
2121.33Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie
Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.
Chemical science, 2024, 15, 6577-6582
1571333 CIFCa Ga6 Mg6 Se16P -617.5327; 17.5327; 7.7603
90; 90; 120
2065.89Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie
Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.
Chemical science, 2024, 15, 6577-6582
1571334 CIFGa6 Mg6 Se16 SrP -617.6115; 17.6115; 7.7684
90; 90; 120
2086.68Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie
Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.
Chemical science, 2024, 15, 6577-6582
2015343 CIF
Paper
Ba4.6667 Cl1.3333 F8P -621.3281; 21.3281; 4.1993
90; 90; 120
1654.29Bernsteiner, Anita; Kubel, Frank
A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~
Acta Crystallographica Section C, 2006, 62, i41-i42
2212722 CIF
HKL
Paper
H6 La O12 P3P -66.7373; 6.7373; 6.1048
90; 90; 120
239.98Khlissa, Faycel; Férid, Mokhtar
Cyclotriphosphate trihydraté de lanthane
Acta Crystallographica Section E, 2007, 63, i64-i66
2228901 CIF
HKL
Paper
B O7 P Zn3P -68.4624; 8.4624; 13.069
90; 90; 120
810.51Zhang, Erpan; Zhao, Sangen; Zhang, Jianxiu; Fu, Peizhen; Yao, Jiyong
The β-modification of trizinc borate phosphate, Zn~3~(BO~3~)(PO~4~)
Acta Crystallographica Section E, 2011, 67, i3
2243664 CIF
HKL
Paper
Co12 P7P -67.97; 7.97; 3.2034
90; 90; 120
176.22Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew
The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data
Acta Crystallographica Section E, 2020, 76, 1665-1668
2243665 CIF
HKL
Co12 P7P -68.253; 8.253; 3.2902
90; 90; 120
194.1Zurkowski, Claire; Lavina, Barbara; Chariton, Stella; Tkachev, Sergey; Prakapenka, Vitali; Campbell, Andrew
The novel high-pressure/high-temperature compound Co~12~P~7~ determined from synchrotron data
Acta Crystallographica Section E, 2020, 76, 1665-1668
4002221 CIFC0.6 Ba3 Co2 O7.8P -69.683; 9.683; 9.518
90; 90; 120
772.852Boulahya, K.; Amador, U.; Parras, M.; Gonzalez-Calbet, J.M.
The oxycarbonate Ba3 Co2 O6 (C O3)0.60 with a 2H-(A B O3)-related structure
Chemistry of Materials (1,1989-), 2000, 12, 966-972
4003672 CIFC15 H75 I27 N30 Pb6P -626.77; 26.77; 14.86
90; 90; 120
9222.4Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization
Chemistry of Materials, 2020
4304103 CIFCa10.92 Hg54.08P -613.389; 13.389; 9.6154
90; 90; 120
1492.8Andriy V. Tkachuk; Arthur Mar
Alkaline-Earth Metal Mercury Intermetallics A11-xHg54+x (A= Ca, Sr)
Inorganic Chemistry, 2008, 47, 1313-1318
4304104 CIFHg54.52 Sr10.48P -613.6016; 13.6016; 9.8177
90; 90; 120
1573Andriy V. Tkachuk; Arthur Mar
Alkaline-Earth Metal Mercury Intermetallics A11-xHg54+x (A= Ca, Sr)
Inorganic Chemistry, 2008, 47, 1313-1318
4314760 CIFB Ba F O3 ZnP -65.06579; 5.06579; 4.27999
90; 90; 120
95.119Ru Kang Li; Peng Chen
Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series
Inorganic Chemistry, 2010, 49, 1561-1565
4320357 CIFAs21 Nb27 Pd3P -616.6955; 16.6955; 3.5582
90; 90; 120
858.93Meitian Wang; Arthur Mar
Nb9PdAs7: A Unique Arrangement in the Mn2+3n+2Xn2+nY Family of Hexagonal Structures
Inorganic Chemistry, 2001, 40, 5365-5370
4327898 CIFBa24 Hg9 S54 U9P -627.175; 27.175; 4.225
90; 90; 120
2702.1Daniel E. Bugaris; James A. Ibers
Ba8Hg3U3S18: A Complex Uranium(+4)/Uranium(+5) Sulfide
Inorganic Chemistry, 2012, 51, 661-666
4331406 CIFAg5 Rb S3P -613.389; 13.389; 8.04
90; 90; 120
1248.2Kolis, J.W.; Wood, P.T.; Pennington, W.T.
Synthesis of new channeled structures in supercritical amines: Preparation and structure of RbAg5S3 and CsAg7S4
Inorganic Chemistry, 1994, 33, 1556-1558
4333624 CIFAs7 Ce2 Cu9 Mn3P -69.9226; 9.9226; 3.9912
90; 90; 120
340.32Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333625 CIFCu9 La2 Mn3 P7P -69.6444; 9.6444; 3.9027
90; 90; 120
314.374Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333626 CIFCe2 Cu9 Mn3 P7P -69.6592; 9.6592; 3.8686
90; 90; 120
312.584Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333627 CIFCu9 Mn3 P7 Pr2P -69.6468; 9.6468; 3.8508
90; 90; 120
310.35Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333628 CIFCu9 Mn3 Nd2 P7P -69.642; 9.642; 3.8404
90; 90; 120
309.2Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333629 CIFCu9 Mn3 P7 Sm2P -69.6356; 9.6356; 3.8188
90; 90; 120
307.054Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333630 CIFCu9 Gd2 Mn3 P7P -69.5977; 9.5977; 3.7981
90; 90; 120
302.99Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333631 CIFCu9 Mn3 P7 Tb2P -69.6016; 9.6016; 3.7867
90; 90; 120
302.33Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333632 CIFCu9 Dy2 Mn3 P7P -69.597; 9.597; 3.7761
90; 90; 120
301.19Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333633 CIFAs7 Cu9 La2 Mn3P -69.9376; 9.9376; 4.0194
90; 90; 120
343.76Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333634 CIFAs7 Cu9 Mn3 Nd2P -69.913; 9.913; 3.9611
90; 90; 120
337.098Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4333635 CIFAs7 Cu9 Mn3 Pr2P -69.9196; 9.9196; 3.9748
90; 90; 120
338.715Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar
Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure
Inorganic Chemistry, 2013, 52, 1040-1046
4343818 CIFF6 Na1.5 Nd1.5P -66.1; 6.1; 3.711
90; 90; 120
119.586Burns, J.H.
Crystal structure of hexagonal sodium neodynium fluoride and related compounds
Inorganic Chemistry, 1965, 4, 881-886
4515174 CIFC3 H3 I4.5 N3 Pb1.5 S1.5P -615.6998; 15.6998; 8.0618
90; 90; 120
1720.88Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.
Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy
ACS Energy Letters, 2019, 4, 1763
6000206 CIFC Li Na O3P -68.3115; 8.3115; 3.3858
90; 90; 120
233.88Zhukov, S. G.; Yatsenko, A. V.; Chernyshev, V. V.; D'yakov, V. A.; Le, Loux R; Schenk, H.
X-ray high temperature powder diffraction study and computer simulation of gamma-LiNaCO3
Zeitschrift für Kristallographie, 1999, 214, 255-258
6000419 CIFBa7 Cl2 F12P -610.6373; 10.6373; 4.1724
90; 90; 120
408.86Es-Sakhi, B.; Gravereau, P.; Fouassier, C.
Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12
Powder Diffraction, 1998, 13, 152-156
7001587 CIFC38 H30 Cl2 Cu3 N6 O14P -69.3139; 9.3139; 13.3133
90; 90; 120
1000.18Kanoo, Prakash; Madhu, C.; Mostafa, Golam; Maji, Tapas Kumar; Sundaresan, A.; Pati, Swapan K.; Rao, C. N. R.
A planar Cu2+ (S = 1/2) kagomé network pillared by 1,2-bis(4-pyridyl) ethane with interesting magnetic properties
Dalton Transactions, 2009, 5062-5064
7001820 CIFC21 H45 Cl3 N8 O3P -67.923; 7.923; 13.4371
90; 90; 120
730.49Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane
A novel trisprotonated β-dialdiminate cryptand
Dalton Transactions, 2009, 6315-6326
7003518 CIFC6 H15 As Cl2P -68.354; 8.354; 8.629
90; 90; 120
521.5Davis, Martin F.; Levason, William; Reid, Gillian; Webster, Michael
Complexes of germanium(iv) fluoride with phosphane ligands: structural and spectroscopic authentication of germanium(iv) phosphane complexes
Dalton Transactions, 2008, 2261-2269
7042216 CIFC69 H87 Eu O30 Ti6P -614.9021; 14.9021; 23.59
90; 90; 120
4536.84Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042217 CIFC69 H87 Ho O30 Ti6P -614.8834; 14.8834; 23.59
90; 90; 120
4525.5Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042218 CIFC69 H87 Er O30 Ti6P -615.034; 15.034; 23.8089
90; 90; 120
4660.36Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042219 CIFC69 H87 Dy O30 Ti6P -614.9065; 14.9065; 23.6229
90; 90; 120
4545.85Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042220 CIFC69 H87 Ce O30 Ti6P -615.028; 15.028; 23.6224
90; 90; 120
4620.2Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042221 CIFC69 H87 O30 Tb Ti6P -614.9365; 14.9365; 23.6008
90; 90; 120
4559.9Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042222 CIFC69 H87 O30 Sm Ti6P -614.9683; 14.9683; 23.6974
90; 90; 120
4598.1Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042224 CIFC69 H87 Gd O30 Ti6P -614.9227; 14.9227; 23.5803
90; 90; 120
4547.5Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042225 CIFC69 H87 Nd O30 Ti6P -614.9289; 14.9289; 23.5597
90; 90; 120
4547.3Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042226 CIFC69 H87 O30 Pr Ti6P -614.9478; 14.9478; 23.5581
90; 90; 120
4558.5Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7042227 CIFC69 H87 La O30 Ti6P -615.0084; 15.0084; 23.5238
90; 90; 120
4588.9Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4287-4295
7063147 CIFBi2.49 Cl Na2.51 O12 P3P -69.7197; 9.7197; 13.8019
90; 90; 120
1129.21Belokoneva, Elena L.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.; Govorko, Nadezhda B.
Hydrothermally synthesized first acentric apatite (Bi5Na5)[PO4]6Cl2 with wide Bi–Na isomorphism and doubled c-axis
New Journal of Chemistry, 2024, 48, 7940-7945

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