# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:48:56+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m n m :2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001745","8.771","0.014","10.16","0.02","3.784","0.003","90","","90","","90","","337.2","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Sodium triniobate","","- Na Nb3 O8 -","- Na Nb3 O8 -","- Na2 Nb6 O16 -","2","0.25","","Nedjar, R; Borel, M M; Leclaire, A; Raveau, B","The sodium niobate Na Nb3 O8: A novel lamellar oxide synthesized by soft chemistry","Journal of Solid State Chemistry","1987","71","","182","188","10.1016/0022-4596(87)90157-5","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513956","2.805","","5.757","","4.572","","90","","90","","90","","73.83","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganate(III)","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Hoppe, R.; Brachtel, G.; Jansen, M.","Zur Kenntnis der Oxomanganate(III):, Über LiMnO~2~ und β-NaMnO~2~ [1]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","417","1","1","10","10.1002/zaac.19754170102","","","","","","0.0668","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1514015","4.5795","0.0007","5.755","0.0008","2.8106","0.0004","90","","90","","90","","74.073","0.019","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganate(III)","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Komaba, S.; Myung, S. T.; Kumagai, N.; Kanouchi, T.; Oikawa, K.; Kamiyama, T.","Hydrothermal synthesis of high crystalline orthorhombic Li Mn O2 as a cathode material for Li-ion batteries","Solid State Ionics","2002","152","","311","318","","","","","","","0.0754","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514034","4.5725","0.0001","5.7419","0.0002","2.8037","0.0001","90","","90","","90","","73.611","0.004","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganate(III) - Ht","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Wei, Y.-J.; Ehrenberg, H.; Bramnik, N. N.; Nikolowski, K.; Baehtz, C.; Fuess, H.","In situ synchrotron diffraction study of high temperature prepared orthorhombic Li Mn O2","Solid State Ionics","2007","178","","253","257","10.1016/j.ssi.2006.11.018","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1527537","2.859","","6.338","","4.785","","90","","90","","90","","86.706","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Na Mn O2","","- Mn Na O2 -","- Mn Na O2 -","- Mn2 Na2 O4 -","2","0.25","","Hoppe, R.; Brachtel, G.; Jansen, M.","Ueber Li Mn O2 und beta Na Mn O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","417","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1556758","3.437","0.001","5.861","0.001","15.512","0.0001","90","","90","","90","","312.48","0.11","200","2","200","2","","","","","","","","3","P m n m :2","-P 2c 2a","59","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni2 Se10 Ta4 -","2","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0406","0.0346","","","0.0797","0.081","","","","","","1.139","","","","has coordinates","245731","2020-10-21","18:00:00",""
"2104469","4.066","0.0004","23.305","0.003","17.13","0.002","90","","90","","90","","1623.2","0.3","293","1","293","1","","","","","","","","3","P m n m :2","-P 2c 2a","59","","","","- Bi6.889 Br4.778 Ni2 -","- Bi3.443 Br2.4221 Ni -","- Bi13.772 Br9.6884 Ni4 -","4","0.5","SN5087","Wahl, B.; Ruck, M.","Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9)","Acta Crystallographica Section B","2009","65","5","593","599","10.1107/S0108768109029760","","","0.71073","MoKα","","0.0882","0.0596","","","0.0839","0.0853","","","","","","6.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2106381","3.78","","7.917","","3.302","","90","","90","","90","","98.817","","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Fe O Cl","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Lind, M.D.","Refinement of the crystal structure of iron oxychloride","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1058","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001898","4.574","0.001","5.752","0.001","2.808","0.001","90","","90","","90","","73.88","0.03","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4003897","18.1597","0.0012","6.0526","0.0003","6.0368","0.0003","90","","90","","90","","663.53","0.06","380.1","0.2","380.1","0.2","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0448","0.0396","","","0.1025","0.1053","","","","","","1.145","","","","has coordinates","263498","2021-03-31","22:29:13",""
"4003898","18.0557","0.0012","6.0554","0.0003","6.0295","0.0003","90","","90","","90","","659.23","0.06","360.2","0.3","360.2","0.3","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0487","0.0455","","","0.1335","0.1362","","","","","","1.179","","","","has coordinates","263499","2021-03-31","22:29:34",""
"4080665","9.5714","0.0003","6.864","0.0002","9.3036","0.0003","90","","90","","90","","611.23","0.03","297","2","297","2","","","","","","","","6","P m n m :2","-P 2c 2a","59","","","","- C10 H10 B Cl2 F4 Mo -","- C10 H10 B Cl2 F4 Mo -","- C20 H20 B2 Cl4 F8 Mo2 -","2","0.25","","Kuo, Louis Y.; Shari’ati, Yusef A.; Valente, Edward J.","Aqueous Chemistry of the Metallocene [Cp2MoCl2]BF4: Evidence of Autocatalytic Molybdenum(V) Reduction in Water","Organometallics","2013","32","10","2902","","10.1021/om301262u","","","0.71073","MoKα","","0.0251","0.023","","","0.0532","0.0546","","","","","","1.003","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4318379","6.555","0.002","9.426","0.002","12.436","0.002","90","","90","","90","","768.4","0.3","293","2","293","2","","","","","","","aqueous synthesis","4","P m n m :2","-P 2c 2a","59","","5,6-dihydrodipyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium tetracyanonickelate(ii)","","- C18 H12 N6 Ni -","- C18 H12 N6 Ni -","- C36 H24 N12 Ni2 -","2","0.25","","Pablo Vitoria; Javier I. Beitia; Juan Manuel Gutiérrez-Zorrilla; Emilio R. Sáiz; Antonio Luque; Maite Insausti; José J. Blanco","Tetracyanometalates of Ni, Pd, and Pt with Cyclic Diquaternary Cations of 2,2'-Bipyridine and 1,10-Phenanthroline. A Vibrational, Crystallographic, and Theoretical Study of Intermolecular Weak Interactions","Inorganic Chemistry","2002","41","","4396","4404","10.1021/ic0200287","","","0.71069","MoKα","","0.0919","0.046","","0.1354","","0.1545","","","1.412","","","1.332","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7214210","4.578","0.0002","5.7488","0.0003","2.8054","0.0001","90","","90","","90","","73.833","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214211","4.5809","0.0002","5.7487","0.0004","2.8047","0.0002","90","","90","","90","","73.86","0.008","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214212","4.5825","0.0002","5.7526","0.0003","2.8067","0.0001","90","","90","","90","","73.988","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214213","4.5758","0.0001","5.7517","0.0001","2.8062","0.0001","90","","90","","90","","73.855","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214214","4.5752","0.0001","5.7506","0.0001","2.8061","0.0001","90","","90","","90","","73.829","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7214215","4.5771","0.0001","5.7561","0.0002","2.8076","0.0001","90","","90","","90","","73.97","0.004","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"7222623","12.81","","10.842","","9.703","","90","","90","","90","","1347.61","","","","","","","","","","","","","7","P m n m :2","-P 2c 2a","59","","Na (N (C H3)4)2 (V W5 O19) (H2 O)","","- C8 H26 N2 Na O20 V W5 -","- C8 N2 Na O20 V W5 -","- C16 N4 Na2 O40 V2 W10 -","2","0.25","","Botar, A.; Fuchs, J.","Kristallstrukturen und Schwingungsspektren des heteropolysulfats (N(C H3)4)6 S2 V2 W16 O62 und des vanadowolframats Na (N (C H3)4)2 V W5 O19 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9014034","5.17","","9.217","","7.058","","90","","90","","90","","336.327","","","","","","","","","","","","Synthetic","4","P m n m :2","-P 2c 2a","59","","","Burkeite","- C0.61 Na4 O7.39 S1.39 -","- C0.61 Na4 O7.39 S1.39 -","- C1.22 Na8 O14.78 S2.78 -","2","0.25","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015329","5.177","","9.224","","7.066","","90","","90","","90","","337.42","","","","","","","","","","","","Synthetic","4","P m n m :2","-P 2c 2a","59","","","Burkeite","- C0.55 Na4 O7.45 S1.45 -","- C0.55 Na4 O7.45 S1.45 -","- C1.1 Na8 O14.9 S2.9 -","2","0.25","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016181","5.198","","9.255","","7.085","","90","","90","","90","","340.842","","","","","","","","","","","","Synthetic","4","P m n m :2","-P 2c 2a","59","","","Burkeite","- C0.49 Na4 O7.51 S1.51 -","- C0.49 Na4 O7.51 S1.51 -","- C0.98 Na8 O15.02 S3.02 -","2","0.25","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""