Crystallography Open Database

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9017721 CIFCu6 H20 O19 SP m n 216.807; 5.897; 20.653
90; 90; 90		829.03Biagioni, C.; Belmonte, D.; Carbone, C.; Cabella, R.; Demitri, N.; Perchiazzi, N.; Kampf, A. R.; Bosi, F.
Isselite, Cu6(SO4)(OH)10(H2O)4*H2O, a new mineral species from Eastern Liguria, Italy
Mineralogical Magazine, 2020, 84, 653-661
9017315 CIFH16 Mg N O10 PP m n 216.955; 6.142; 11.218
90; 90; 90		479.206Abbona, F.; Calleri, M.; Ivaldi, G.
Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms
Acta Crystallographica, Section B, 1984, 40, 223-227
9017294 CIFH16 Mg N O10 PP m n 216.941; 6.137; 11.199
90; 90; 90		477.043Whitaker, A.; Jeffery, J. W.
The crystal structure of struvite, MgNH4PO4*6H2O
Acta Crystallographica, Section B, 1970, 26, 1429-1440
9017226 CIFAs0.5 Cu2.5 H2.15 O6.575P m n 213.0088; 14.212; 14.89
90; 90; 90		636.712Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.
The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods
European Journal of Mineralogy, 2013, 25, 693-704
9017225 CIFAs Cu5 H8 O15P m n 213.0113; 14.259; 14.932
90; 90; 90		641.152Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.
The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods
European Journal of Mineralogy, 2013, 25, 693-704
9015642 CIFAs Cu3 S4P m n 217.4127; 6.4404; 6.1577
90; 90; 90		293.973Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E.
Crystal and absolute structure of enargite from Bor (Serbia)
Neues Jahrbuch fur Mineralogie, Monatshefte, 2002, 2002, 241-253
9014599 CIFAs Cu3 S4P m n 217.399; 6.428; 6.145
90; 90; 90		292.261Pfitzner, A.; Bernert, T.
The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4
Zeitschrift fur Kristallographie, 2004, 219, 20-26
9014090 CIFAs Cu3 S4P m n 217.426; 6.4521; 6.1631
90; 90; 90		295.294Henao, J. A.; Diaz de Delgado, G.; Delgado, J. M.; Castrillo, F. J.; Odreman, O.
Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths
Materials Research Bulletin, 1994, 29, 1121-1127
9013793 CIFC H6 Cu2 O21 Pb5 S3P m n 2120.085; 7.141; 6.563
90; 90; 90		941.311Schofield, P. F.; Wilson, C. C.; Knight, K. S.; Kirk, C. A.
Proton location and hydrogen bonding in the hydrous lead copper sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6
The Canadian Mineralogist, 2009, 47, 649-662
9012526 CIFD6 Mn N O5 PP m n 215.7302; 8.8191; 4.9087
90; 90; 90		248.062Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012525 CIFD6 Mn N O5 PP m n 215.7142; 8.8255; 4.8762
90; 90; 90		245.91Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 21.4 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012524 CIFD6 Mn N O5 PP m n 215.7173; 8.8312; 4.8774
90; 90; 90		246.263Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 1.6 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012500 CIFLi3 O4 PP m n 216.115; 5.2394; 4.8554
90; 90; 90		155.562Keffer, C.; Mighell, A. D.; Mauer, F.; Swanson, H.; Block, S.
The crystal structure of twinned low-temperature lithium phosphate Note: dimorphic with lithiophosphate
Inorganic Chemistry, 1967, 6, 119-125
9012220 CIFO5 V2P m n 2111.544; 4.383; 3.571
90; 90; 90		180.683Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.
Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIa
Journal of Solid State Chemistry, 1996, 123, 317-323
9012219 CIFMg0.01 O5 V2P m n 2111.544; 4.383; 3.574
90; 90; 90		180.835Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P.
Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: I
Journal of Solid State Chemistry, 1996, 123, 317-323
9011199 CIFH12 K Mg O10 PP m n 216.873; 6.16; 11.087
90; 90; 90		469.398Mathew, M.; Schroeder, L. W.
Crystal structure of a struvite analogue, MgKPO4*6H2O
Acta Crystallographica, Section B, 1979, 35, 11-13
9011134 CIFCu3 P Se4P m n 217.697; 6.661; 6.381
90; 90; 90		327.152Garin, J.; Parthe, E.
The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4
Acta Crystallographica, Section B, 1972, 28, 3672-3674
9010847 CIFH12 K Mg O10 PP m n 216.892; 6.166; 11.139
90; 90; 90		473.364Graeser, S.; Postl, W.; Bojar, H. P.; Berlepsch, P.; Armbruster, T.; Raber, T.; Ettinger, K.; Walter, F.
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral Locality: Lengenbach, Switzerland
European Journal of Mineralogy, 2008, 20, 629-633
9010013 CIFGa H3 O3P m n 217.4865; 7.4379; 7.4963
90; 90; 90		417.423Scott, J. D.
Crystal structure of a new mineral, sohngeite
American Mineralogist, 1971, 56, 355-355
9009490 CIFAl2.8 Ca0.47 H12 Na2 O22 Si5.2P m n 2110.1027; 9.8016; 10.1682
90; 90; 90		1006.88Artioli, G.; Foy, H.
Gobbinsite from Magheramorne quarry, Northern Ireland
Mineralogical Magazine, 1994, 58, 615-620
9009429 CIFBa Be2 O7 Si2P m n 2111.65; 4.922; 4.674
90; 90; 90		268.013Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Mikhailova, Y.; Pakhomovsky, Y. A.
Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and physical properties Locality: Khibina alkaline massif, Kola Peninsula, Russia
Neues Jahrbuch fur Mineralogie, Monatshefte, 2004, 2004, 373-384
9008365 CIFAl3 Ca0.3 H12 K1.125 Na1.3 O21.325 Si5P m n 2110.108; 9.766; 10.171
90; 90; 90		1004.03McCusker, L. B.; Baerlocher, C.
Rietveld refinement of the crystal structure of the new zeolite mineral gobbinsite Locality: County Antrim, Northern Ireland
Zeitschrift fur Kristallographie, 1985, 171, 281-289
9007674 CIFH16 Mg N O10 PP m n 216.955; 6.142; 11.218
90; 90; 90		479.206Ferraris, G.; Fuess, H.; Joswig, W.
Neutron diffraction study of MgNH4PO4*6H2O (struvite) and survey of water molecules donating short hydrogen bonds
Acta Crystallographica, Section B, 1986, 42, 253-258
9007575 CIFC H6 Cu2 O21 Pb5 S3P m n 2120.089; 7.146; 6.56
90; 90; 90		941.727Giacovazzo, C.; Menchetti, S.; Scordari, F.
The crystal structure of caledonite, Cu2Pb5(SO4)3CO3(OH)6
Acta Crystallographica, Section B, 1973, 29, 1986-1990
9007573 CIFAs H16 Mg N O10P m n 217.054; 6.205; 11.368
90; 90; 90		497.578Ferraris, G.; Franchini-Angela M
Hydrogen bonding in the crystalline state. Refinement of the crystal structure of MgNH4AsO4*6(H2O), arsenstruvite
Acta Crystallographica, Section B, 1973, 29, 859-863
9007517 CIFAs Cu3 S4P m n 217.407; 6.436; 6.154
90; 90; 90		293.37Adiwidjaja, G.; Lohn, J.
Strukturverfeinerung von enargit, Cu3AsS4
Acta Crystallographica, Section B, 1970, 26, 1878-1879
9004650 CIFH10 O10 S VP m n 217.242; 9.319; 6.192
90; 90; 90		417.887Hawthorne, F. C.; Schindler, M.; Grice, J. D.; Haynes, P.
Orthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain, Emery county, Utah, U.S.A.
The Canadian Mineralogist, 2001, 39, 1325-1331
8107693 CIFC6 H18 Br6 In Na O2 S2P m n 2110.5451; 7.1169; 13.7034
90; 90; 90		1028.42Jin, Shifeng; Lu, Jiali
The crystal structure of bis(trimethylsulfoxonium) catena-poly[µ2-hexabromido-indium(III)sodium(I)] C6H18O2S2NaInBr6
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1171-1173
8104123 CIFCu3 P S4P m n 217.2817; 6.3387; 6.0746
90; 90; 90		280.382Pfitzner, A.; Reiser, S.
Refinement of the crystal structures of Cu3 P S4 and Cu3 Sb S4 and a comment on normal tetrahedral structures
Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 51-54
8104004 CIFKP m n 2111.048; 8.367; 7.402
90; 90; 90		684.231Davis, B.L.; Adams, L.H.
Reexamination of K N O3 IV and transition rate of K N O3 II - K N O3 IV
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1962, 117, 399-410
8102913 CIFH7.5 Ni0.5 O5.5 P0.5P m n 216.916; 6.1032; 11.1679
90; 90; 90		471.39X.-W. Wang; P. Wang; Y.-Q. Zheng
Crystal structure of hexaaquanickel(II) hydrogenphosphate monohydrate, [Ni(H~2~O)~6~][HPO~4~] · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 321-322
8101567 CIFC44 H58 O10 P2P m n 2123.7325; 7.9631; 12.3151
90; 90; 90		2327.4Reck, Guenter; Schneider, Matthias; Gloede, Joerg; Vollhardt, Dieter
Crystal structure of 11,23-bis(diisopropylphosphono)-25,26,27,28- tetramethoxycalix[4]arene, C~44~H~58~O~10~P~2~
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 501-502
8100650 CIFCe2 Ni7 P4P m n 213.7769; 9.2225; 10.4129
90; 90; 90		362.71Budnyk, Sergii; Prots, Yurii; Kuz'ma, Yurii; Grin, Yuri
Refinement of the crystal structure of dicerium heptanickel tetraphosphide, Ce~2~Ni~7~P~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 159-160
8100168 CIFC9 H11 Cl Cu N6P m n 2113.733; 6.102; 7.252
90; 90; 90		607.7Lin, Jian-Li; Zheng, Yue-Qing
Crystal structure of catena-chlorobis(imidazole)(μ-imidazolato- N,N')copper(II), [Cu(Cl)(C~3~H~4~N~2~)~2~(C~3~H~3~N~2~)]
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 431-432
7716360 CIFH8 N3 O14 U3P m n 2112.387; 7.441; 7.002
90; 90; 90		645.4Zhang, Yingjie; Ablott, Timothy A.; Nicholas, Maria K.; Karatchevtseva, Inna; Plášil, Jakub
Capturing ammonium nitrate in a synthetic uranium oxide hydrate phase: revealing the role of ammonium ions and anion inclusions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11112-11119
7712599 CIFB6.5 Co0.5 H3 K3.5 O14P m n 2112.3437; 9.1086; 12.9438
90; 90; 90		1455.32Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang
Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.
Dalton transactions (Cambridge, England : 2003), 2023
7710538 CIFC18 H31 Ga I3 O PP m n 2114.875; 7.1776; 11.9265
90; 90; 90		1273.35Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian
Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids
Dalton Transactions, 2022
7709490 CIFC124 H102 N20 O70 Ti19P m n 2122.0234; 15.8771; 28.8999
90; 90; 90		10105.4Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng
Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate
Dalton Transactions, 2022
7707104 CIFN5 NaP m n 215.455; 2.836; 5.662
90; 90; 90		87.6Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.
Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 7229-7237
7706794 CIFCu3 P S4P m n 217.2789; 6.3341; 6.0828
90; 90; 90		280.45Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4129-4132
7706793 CIFAg3 P S4P m n 217.6383; 6.8528; 6.4976
90; 90; 90		340.11Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4129-4132
7706792 CIFAg1.5 Cu1.5 P S4P m n 217.718; 6.562; 6.318
90; 90; 90		320Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4129-4132
7247218 CIFC13 H18 N4 O5 SP m n 2120.0136; 8.2017; 9.831
90; 90; 90		1613.71Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.
Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism
CrystEngComm, 2023, 25, 5118-5132
7241883 CIFH10 O15 S2 U ZnP m n 2112.8695; 8.28206; 11.292
90; 90; 90		1203.57Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241882 CIFH10 Ni O15 S1.64 Se0.35 UP m n 2112.783; 8.2863; 11.3033
90; 90; 90		1197.29Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241881 CIFCo H10 O15 S2 UP m n 2112.916; 8.296; 11.2937
90; 90; 90		1210.13Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241879 CIFH10 Ni O15 S1.85 Se0.15 UP m n 2112.7808; 8.2806; 11.3074
90; 90; 90		1196.69Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241875 CIFH10 Ni O15 S1.2 Se0.8 UP m n 2112.8291; 8.2825; 11.3826
90; 90; 90		1209.48Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241874 CIFH10 Ni O15 S2 UP m n 2112.7506; 8.3095; 11.2929
90; 90; 90		1196.5Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148
7241870 CIFH10 Ni O15 S1.38 Se0.62 UP m n 2112.8182; 8.2926; 11.3803
90; 90; 90		1209.68Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
CrystEngComm, 2021, 23, 1140-1148

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