# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:01:18+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Inorganic Chemistry') AND volume = 32 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
"4331433","10.002","","14.197","","7.458","","90","","90","","90","","1059.02","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Sr5 Br (B O3)3","","- B3 Br O9 Sr5 -","- B3 Br O9 Sr5 -","- B12 Br4 O36 Sr20 -","4","0.5","","Alekel, T.; Keszler, D.A.","New strontium borate halides: Sr5 (B O3)3 X (X= F, Br)","Inorganic Chemistry","1993","32","","101","105","10.1021/ic00053a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331434","7.22","","14.092","","9.81","","90","","90","","90","","998.111","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr5 F (B O3)3","","- B3 F O9 Sr5 -","- B3 F O9 Sr5 -","- B12 F4 O36 Sr20 -","4","0.5","","Alekel, T.; Keszler, D.A.","New strontium borate halides: Sr5 (B O3)3 X (X= F, Br)","Inorganic Chemistry","1993","32","","101","105","10.1021/ic00053a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4344228","7.577","","17.672","","13.81","","90","","105.74","","90","","1779.83","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(K4 (V2 O2 Se8)) (C H3 O H)0.65","","- C0.65 H2.6 K4 O2.65 Se8 V2 -","- K4 O2.65 Se8 V2 -","- K16 O10.6 Se32 V8 -","4","1","","Liao, J.-H.; Kanatzidis, M.G.; Hill, L.","Methanothermal synthesis of two dimeric vanadium polyselenides, (V2 O2 Se10)4- and (V2 O2 S8)4-","Inorganic Chemistry","1993","32","","4650","4652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344229","14.229","","24.136","","6.907","","90","","90","","90","","2372.08","","","","","","","","","","","","","6","P n c 2","P 2 -2bc","30","","(K4 (V2 O2 Se10)) (C H3 O H)2","","- C2 H8 K4 O4 Se10 V2 -","- C2 K4 O4 Se10 V2 -","- C8 K16 O16 Se40 V8 -","4","1","","Liao, J.-H.; Hill, L.; Kanatzidis, M.G.","Methanothermal synthesis of two dimeric vanadium polyselenides, (V2 O2 Se10)4- and (V2 O2 Se8)4-","Inorganic Chemistry","1993","32","","4650","4652","","","","","","","","","","","","","","","","","","","","","","has coordinates","161383","2020-10-21","18:00:00",""
"4344235","6.254","","12.5","","9.224","","90","","106.87","","90","","690.055","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Zn (H2 O)6) (S O4)2","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Araya, M. A.; Cotton, F. A.; Daniels, M. N.; Falvello, L. R.; Murillo, C. A.","Solid solitions of a Jahn-Teller compound in an undistorted host. 3. The chromium/zinc Tutton salt system","Inorganic Chemistry","1993","32","22","4853","4860","10.1021/ic00074a033","","","","","","","","","","","","","","","","","","","","","has coordinates","189052","2020-10-21","18:00:00",""
"4344237","6.256","","12.507","","9.255","","90","","106.74","","90","","693.458","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Zn0.52 Cr0.48 (H2 O)6) (S O4)2","","- Cr0.48 H20 N2 O14 S2 Zn0.52 -","- Cr0.48 H20 N2 O14 S2 Zn0.52 -","- Cr0.96 H40 N4 O28 S4 Zn1.04 -","2","0.5","","Araya, M. A.; Cotton, F. A.; Daniels, M. N.; Falvello, L. R.; Murillo, C. A.","Solid solitions of a Jahn-Teller compound in an undistorted host. 3. The chromium/zinc Tutton salt system","Inorganic Chemistry","1993","32","22","4853","4860","10.1021/ic00074a033","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","189052","2020-10-21","18:00:00",""
"4344238","6.273","","12.528","","9.3","","90","","106.55","","90","","700.591","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Zn0.24 Cr0.76 (H2 O)6) (S O4)2","","- Cr0.76 H20 N2 O14 S2 Zn0.24 -","- Cr0.76 H20 N2 O14 S2 Zn0.24 -","- Cr1.52 H40 N4 O28 S4 Zn0.48 -","2","0.5","","Araya, M. A.; Cotton, F. A.; Daniels, M. N.; Falvello, L. R.; Murillo, C. A.","Solid solitions of a Jahn-Teller compound in an undistorted host. 3. The chromium/zinc Tutton salt system","Inorganic Chemistry","1993","32","22","4853","4860","10.1021/ic00074a033","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","189052","2020-10-21","18:00:00",""
"4344239","6.2","","12.703","","9.431","","90","","106.66","","90","","711.593","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Cr (H2 O)6) (S O4)2","","- Cr H20 N2 O14 S2 -","- Cr H20 N2 O14 S2 -","- Cr2 H40 N4 O28 S4 -","2","0.5","","Araya, M. A.; Cotton, F. A.; Daniels, M. N.; Falvello, L. R.; Murillo, C. A.","Solid solitions of a Jahn-Teller compound in an undistorted host. 3. The chromium/zinc Tutton salt system","Inorganic Chemistry","1993","32","22","4853","4860","10.1021/ic00074a033","","","","","","","","","","","","","","","","","","","","","has coordinates","189052","2020-10-21","18:00:00",""
"4344247","10.664","","11.223","","7.1599","","94.64","","101.32","","74.04","","807.524","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cs Cu S6 -","- Cs Cu S6 -","- Cs4 Cu4 S24 -","4","2","","McCarthy, T.J.; Zhang, X.; Kanatzidis, M.G.","Synthesis of Cs Cu S6 and Cs 6 Cu2 (Te S3)2 (S6)2 in molten Cs2 Sx Tey salts.Novel compounds containing polychalcogenide ligands","Inorganic Chemistry","1993","32","","2944","2948","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344248","21.072","","13.173","","11.948","","90","","90","","90","","3316.54","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs6 Cu2 (Te S3)2 (S6)2","","- Cs6 Cu2 S18 Te2 -","- Cs6 Cu2 S18 Te2 -","- Cs24 Cu8 S72 Te8 -","4","","","McCarthy, T.J.; Zhang, X.; Kanatzidis, M.G.","Synthesis of Cs Cu S6 and Cs 6 Cu2 (Te S3)2 (S6)2 in molten Cs2 Sx Tey salts.Novel compounds containing polychalcogenide ligands","Inorganic Chemistry","1993","32","","2944","2948","","","","","","","","","","","","","","","","","","","","","","has coordinates","162381","2020-10-21","18:00:00",""
"4344282","9.595","","9.595","","26.926","","90","","90","","120","","2146.8","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(K0.85 Ba0.13)2 Ba Zr6 Cl18 C","","- C Ba1.26 Cl18 K1.7 Zr6 -","- C Ba1.26 Cl18 K1.7 Zr6 -","- C3 Ba3.78 Cl54 K5.1 Zr18 -","3","0.166667","","Zhang, J.; Corbett, J.D.","Two families of centered zirconium cluster phases with M1,2 M' Cl6 * Zr6 Cl12 Z compositions","Inorganic Chemistry","1993","32","","1556","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344283","9.6404","","9.6404","","18.332","","90","","90","","120","","1475.47","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Cs La Zr6 Cl18 Fe","","- Cl18 Cs Fe La Zr6 -","- Cl18 Cs Fe La Zr6 -","- Cl36 Cs2 Fe2 La2 Zr12 -","2","0.166667","","Zhang, J.; Corbett, J.D.","Two families of centered zirconium cluster phases with M1,2 M' Cl6 * Zr6 Cl12 Z compositions","Inorganic Chemistry","1993","32","","1556","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344376","6.34321","","11.59703","","5.79244","","90","","113.329","","90","","391.27","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Bi Mo2 O7 (O H) (H2 O)2","","- Bi H5 Mo2 O10 -","- Bi Mo2 O10 -","- Bi2 Mo4 O20 -","2","0.5","","Hriljac, J.A.; Torardi, C.C.","Synthesis and structure of the novel layered oxide Bi Mo2 O7 O H . 2H2 O","Inorganic Chemistry","1993","32","","6003","6007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344916","6.6833","0.0002","8.9303","0.0002","4.7914","0.0001","90","","93.813","0.002","90","","285.336","0.012","","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As Mn O4 -","- As Mn O4 -","- As4 Mn4 O16 -","4","1","","Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian","Study of MnXO4.nH2O (X = P, As) phases and synthesis and structure of the simple, novel salt MnAsO4","Inorganic Chemistry","1993","32","","1925","1930","10.1021/ic00062a009","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.027","","","","","","","","","has coordinates","188429","2020-10-21","18:00:00",""
"4345766","8.1524","0.0006","6.2649","0.0004","7.7945","0.0005","90","","116.789","0.004","90","","355.37","0.04","","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co Ta Te2 -","- Co Ta Te2 -","- Co4 Ta4 Te8 -","4","1","","Jing Li; Frank McCulley; Susan L. McDonnell; Norberto Masciocchi; Davide M. Proserpio; Angelo Sironi","X-ray powder diffraction as a tool for facing twins: the case of the monoclinic NbCoTe2 and TaCoTe2 phases","Inorganic Chemistry","1993","32","","4829","4833","10.1021/ic00074a029","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.046","","","","","","","","has coordinates","195875","2020-10-21","18:00:00",""
"4345767","8.1612","0.0004","6.2976","0.0003","7.8518","0.0004","90","","117.487","0.003","90","","358","0.03","","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co Nb Te2 -","- Co Nb Te2 -","- Co4 Nb4 Te8 -","4","1","","Jing Li; Frank McCulley; Susan L. McDonnell; Norberto Masciocchi; Davide M. Proserpio; Angelo Sironi","X-ray powder diffraction as a tool for facing twins: the case of the monoclinic NbCoTe2 and TaCoTe2 phases","Inorganic Chemistry","1993","32","","4829","4833","10.1021/ic00074a029","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.04","","","","","","","","has coordinates","195876","2020-10-21","18:00:00",""
"6000664","10.7773","","5.696","","7.6273","","90","","94.47","","90","","466.8","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C2 H5 Cu O3 P -","","","","","","Lebideau, J.; Bujoli, B.; Jouanneaux, A.; Payen, C.; Palvadeau, P.; Rouxel, J.","Preparation and structure of CU-II(C2H5PO3) - structural transition between its hydrated and dehydrated forms","Inorganic Chemistry","1993","32","","4617","4620","10.1021/ic00073a025","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9012522","7.2349","","12.686","","8.6548","","90","","98.439","","90","","785.754","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Bearsite","- As Be2 H9 O9 -","- As Be2 H9 O9 -","- As4 Be8 H36 O36 -","4","1","","Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.","Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O","Inorganic Chemistry","1993","32","","2437","2441","10.1021/ic00063a039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012523","6.4212","","21.612","","8.6813","","90","","109.899","","90","","1132.82","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H15 Na2 O12 P Zn -","- H15 Na2 O12 P Zn -","- H60 Na8 O48 P4 Zn4 -","4","1","","Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.","Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O","Inorganic Chemistry","1993","32","","2437","2441","10.1021/ic00063a039","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""