# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-10T15:20:39+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 'International Journal of Inorganic Materials') AND volume = 3 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
"1511702","11.0223","","11.0223","","17.106","","90","","90","","120","","1799.8","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Li (B9 O15)","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511704","11.0933","","11.0933","","17.392","","90","","90","","120","","1853.54","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Na (B9 O15)","","- B9 Ba Na O15 -","- B9 Ba Na O15 -","- B54 Ba6 Na6 O90 -","6","0.333333","","Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511710","10.6129","","10.6129","","17.555","","90","","90","","120","","1712.38","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sr Li (B9 O15)","","- B9 Li O15 Sr -","- B9 Li O15 Sr -","- B54 Li6 O90 Sr6 -","6","0.333333","","Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525575","9.3792","","6.3331","","7.6281","","90","","115.832","","90","","407.828","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Co2 (O H) (Mo O4)2 (H2 O)","","- Co2 H3 Mo2 Na O10 -","- Co2 Mo2 Na O10 -","- Co4 Mo4 Na2 O20 -","2","0.25","","Amparo Palacio, L.; Echavarria, A.; Saldarriaga, C.","Crystal structure of a cobalt molybdate type phix: Na Co2 O H (H2 O) (Mo O4)2","International Journal of Inorganic Materials","2001","3","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525705","3.5781","","3.5781","","5.1623","","90","","90","","90","","66.092","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Bouvier, P.; Dianoux, A.J.; Djurado, E.; Lucazeau, G.; Ritter, C.","Low temperature phase transformation of nanocrystalline tetragonal Zr O2 by neutron and Raman scattering studies","International Journal of Inorganic Materials","2001","3","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525810","5.4923","","5.4923","","13.3427","","90","","90","","120","","348.564","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.3 Ca0.1) (Mn O3)","","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.6 La3.6 Mn6 O18 Sr1.8 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525812","5.4854","","5.4854","","13.3094","","90","","90","","120","","346.821","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.2 Ca0.2) (Mn O3)","","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca1.2 La3.6 Mn6 O18 Sr1.2 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525814","5.4527","","5.4814","","7.6976","","90","","90","","90","","230.069","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(La0.6 Sr0.1 Ca0.3) (Mn O3)","","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca1.2 La2.4 Mn4 O12 Sr0.4 -","4","0.5","","Liu, R.S.; Hu, S.F.; Shen, C.H.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525816","5.4508","","5.4659","","7.6985","","90","","90","","90","","229.365","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.6 Ca0.4) (Mn O3)","","- Ca0.4 La0.6 Mn O3 -","- Ca0.4 La0.6 Mn O3 -","- Ca1.6 La2.4 Mn4 O12 -","4","0.5","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525845","7.479","","7.479","","16.637","","90","","90","","120","","805.921","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(Cs2 (S O4)) (Te (O H)6)","","- Cs2 H6 O10 S Te -","- Cs2 H6 O10 S Te -","- Cs6 H18 O30 S3 Te3 -","3","0.333333","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525847","12.817","","7.519","","12.432","","90","","111.16","","90","","1117.31","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cs2 (Se O4)) (Te (O H)6)","","- Cs2 H6 O10 Te -","- Cs2 H6 O10 Te -","- Cs8 H24 O40 Te4 -","4","1","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525890","8.2768","","8.2768","","8.2768","","90","","90","","90","","567.006","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sr1.407 Ta0.593 O2.73","","- O2.73 Sr1.407 Ta0.593 -","- O2.73 Sr1.407 Ta0.593 -","- O21.84 Sr11.256 Ta4.744 -","8","0.0416667","","Deniard, P.; Caldes, M.T.; Diot, N.; Zou, X.-D.; Marchand, R.; Brec, R.","Structural modulation in Sr1.4 Ta0.6 O2.9: non-harmonicity on ADPs during Rietveld refinement","International Journal of Inorganic Materials","2001","3","","1121","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","146955","2020-10-21","18:00:00",""
"1525962","3.5536","","3.5986","","3.5528","","90","","90","","90","","45.433","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","B C2 N","","- C2 B N -","- C2 B N -","- C4 B2 N2 -","2","0.5","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525964","2.528","","2.5024","","3.5871","","90","","90","","90","","22.692","","","","","","","","","","","","","3","P m m 2","P 2 -2","25","","B C2 N","","- C2 B N -","- C2 B N -","- C2 B N -","1","0.25","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525994","5.281","","7.463","","5.271","","90","","90","","90","","207.741","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Mn O2.95)","","- Ca Mn O2.95 -","- Ca Mn O2.9499 -","- Ca4 Mn4 O11.7996 -","4","0.5","","Melo Jorge, M.E.; Correia dos Santos, A.; Nunes, M.R.","Effects of synthesis method on stoichiometry, structure and electrical conductivity of Ca Mn O3-d","International Journal of Inorganic Materials","2001","3","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526112","9.5048","","12.4761","","7.6248","","90","","98.73","","90","","893.695","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Fe (C N)6) (H2 O)8","","- C6 H16 Cd2 Fe N6 O8 -","- C6 Cd2 Fe N6 O8 -","- C12 Cd4 Fe2 N12 O16 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526114","9.6208","","12.7016","","7.7512","","90","","98.94","","90","","935.686","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Ru (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Ru -","- C6 Cd2 N6 O8 Ru -","- C12 Cd4 N12 O16 Ru2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526116","9.6385","","12.7161","","7.7606","","90","","98.82","","90","","939.924","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Os (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Os -","- C6 Cd2 N6 O8 Os -","- C12 Cd4 N12 O16 Os2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526122","10.1362","","5.899","","4.6944","","90","","90","","90","","280.694","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.918 Fe0.027) Mg (P O4)","","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.108 Li3.672 Mg4 O16 P4 -","4","0.5","","Goni, A.; Lezama, L.; Pujana, A.; Arriortua, M.I.; Rojo, T.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526124","10.1171","","5.8803","","4.7012","","90","","90","","90","","279.682","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.758 Fe0.081) Mg (P O4)","","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.324 Li3.032 Mg4 O16 P4 -","4","0.5","","Goni, A.; Rojo, T.; Lezama, L.; Pujana, A.; Arriortua, M.I.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526143","3.6789","","3.6789","","3.7717","","90","","90","","120","","44.208","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Li0.572 Cu0.428) Li2 N","","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","1","0.0416667","","Gordon, A.G.; Gregory, D.H.; Blake, A.J.; Weston, D.P.; Jones, M.O.","Ternary lithium nitridocuprates, Li3-x-y Cux N : crystal growth, bulk synthesis, structure and magnetic properties","International Journal of Inorganic Materials","2001","3","","973","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526224","9.905","","9.905","","9.905","","90","","90","","90","","971.77","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 S2 Se2","","- Ga0.5 S2 Se2 V2 -","- Ga0.5 S2 Se2 V2 -","- Ga4 S16 Se16 V16 -","8","0.0833333","","Haeuseler, H.; Reil, S.; Elitok, E.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147361","2020-10-21","18:00:00",""
"1526225","10.135","","10.135","","10.135","","90","","90","","90","","1041.05","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 Se4","","- Ga0.5 Se4 V2 -","- Ga0.5 Se4 V2 -","- Ga4 Se32 V16 -","8","0.0833333","","Haeuseler, H.; Elitok, E.; Reil, S.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147363","2020-10-21","18:00:00",""
"1526398","4.7725","","7.871","","6.8618","","90","","106.142","","90","","247.597","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","V (P2 O7)","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Rousse, G.; Wurm, C.; Rodriguez-Carvajal, J.; Morcrette, M.; Gaubicher, J.; Masquelier, C.","Crystal structure of a new vanadium(IV) diphosphate: V P2 O7, prepared by lithium extraction from Li V P2 O7","International Journal of Inorganic Materials","2001","3","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526405","5.4975","","5.4975","","13.433","","90","","90","","120","","351.588","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La1.33 Na0.44 Mn0.44 Ti1.56 O6","","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La3.99 Mn1.32 Na1.32 O18 Ti4.68 -","3","0.0833333","","Ruiz, A.I.; Ezquerra, T.A.; Pico, C.; Lopez, M.L.; Veiga, M.L.","Electrical behaviour of the system La1.33 Nax Mnx Ti2-x O6 (x = 0.66, 0.55 and 0.44)","International Journal of Inorganic Materials","2001","3","","655","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","147584","2020-10-21","18:00:00",""
"1527054","13.5505","","7.1404","","14.484","","90","","90","","90","","1401.41","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P1.44 V0.56 O7)","","- H O31 P5.44 Rb6 V6.56 -","- O31 P5.44 Rb6 V6.56 -","- O62 P10.88 Rb12 V13.12 -","2","0.5","","le Fur, E.; de Villars, B.; Pivan, J.Y.; Tortelier, J.","New data on rubidium vanadium phosphate. Structure determination of the disordered (V(V) - P(V)) compound Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P2-x Vx O7) with x = 0.6","International Journal of Inorganic Materials","2001","3","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527055","13.5043","","6.9895","","14.1962","","90","","90","","90","","1339.95","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","K6 (V2 O3)2 (V O)2 (P O4)4 (H P2 O7)","","- H K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.5","","le Fur, E.; Tortelier, J.; de Villars, B.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M=K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527056","13.5472","","7.1765","","14.3812","","90","","90","","90","","1398.16","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Tl6 (V2 O3)2 (V O)2 ((P O4)4 (H P V O7))","","- H O31 P5 Tl6 V7 -","- O31 P5 Tl6 V7 -","- O62 P10 Tl12 V14 -","2","0.5","","le Fur, E.; de Villars, B.; Tortelier, J.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M= K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000473","7.4219","","31.5289","","13.6682","","90","","91.807","","90","","3196.83","","","","","","","","","","","","","6","P 1 21/n 1","","","","","","- C3 H16 Be3 N2 O16 P4 -","","","","","","Harrison, W. T. A.","[H3N(CH2)(3)NH3].Be3(HPO4)(4), a three-dimensional framework beryllophosphate containing tetrahedral 10-rings and 12-rings","International Journal of Inorganic Materials","2001","3","","17","22","10.1016/S1466-6049(00)00101-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000756","13.5505","","7.1407","","14.704","","90","","90","","90","","1422.76","","","","","","","","","","","","","5","Pmn2","","","","","","- H O31 P6 Rb6 V6 -","","","","","","Le, Fur E; De, Villars B; Tortelier, J.; Pivan, J. Y.","New data on rubidium vanadium phosphate Structure determination of the disordered (V-V-P-V) compound Rb-6(V2O3)(2)(VO)(2)(PO4)(4)(HP2-xVxO7) with x similar to 0.6","International Journal of Inorganic Materials","2001","3","","9","15","10.1016/S1466-6049(00)00100-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""