# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:57:59+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 'Journal of Solid State Chemistry') AND volume = 77 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
"1000238","6.931","0.003","12.002","0.006","7.134","0.002","90","","90","","90","","593.4","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Aluminium trifluoride - $-beta","","- Al F3 -","- Al F3 -","- Al12 F36 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F~3~ and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000239","4.679","0.001","4.679","0.001","9.324","0.002","90","","90","","90","","204.1","","","","","","","","","","","","","3","P 42 n m","P 4n -2n","102","","Lithium iron(II) iron(III) fluoride","","- F6 Fe2 Li -","- F6 Fe2 Li -","- F12 Fe4 Li2 -","2","0.25","","Fourquet, J L; LeSamedi, E; Calage, Y","Le trirutile ordonne Li Fe~2~ F~6~: Croissance cristalline et etude structurale","Journal of Solid State Chemistry","1988","77","","84","89","10.1016/0022-4596(88)90093-X","","","","","","0.0208","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000475","7.21","0.001","12.398","0.002","7.333","0.001","90","","90","","90","","655.5","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Gallium fluoride hydrate (1/3/0.07) - $-beta","","- F3 Ga H0.07 O0.07 -","- F3 Ga H0.22 O0.0733333 -","- F36 Ga12 H2.64 O0.88 -","12","0.75","","LeBail, A; Jacoboni, C; LeBlanc, M; de Pape, R; Duroy, H; Fourquet, J L","Crystal structure of the metastable form of aluminium trifluoride $- beta-Al F3 and the gallium and indium homologs","Journal of Solid State Chemistry","1988","77","","96","101","10.1016/0022-4596(88)90095-3","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001371","17.407","0.001","11.3438","0.0007","7.2964","0.0015","90","","90","","90","","1440.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dipotassium vanadtobiphosphate","","- K2 O17 P4 V3 -","- K2 O17 P4 V3 -","- K8 O68 P16 V12 -","4","1","","Leclaire, A; Chahboun, H; Groult, D; Raveau, B","Concerning the Intersecting Tunnel Structure of a Novel Vanadyldiphosphate K~2~ (V O~3~) (P~2~ O~7~)~2~ and Its Structural Relationships with Other V(V) and V(IV) Phosphates and Relatives","Journal of Solid State Chemistry","1988","77","","170","179","10.1016/0022-4596(88)90105-3","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001384","8.697","0.001","5.239","0.007","13.293","0.003","90","","116.54","0.01","90","","541.9","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium titanium(III) diphosphate - $-alpha","","- Na O7 P2 Ti -","- Na O7 P2 Ti -","- Na4 O28 P8 Ti4 -","4","1","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","Two forms of sodium titanium(III) diphosphate: $-alpha-Na Ti P~2~ O~7~ closely related to $-beta-Cristobalite and $-beta-Na Ti P~2~ O~7~ isotypic with Na Fe P~2~ O~7~","Journal of Solid State Chemistry","1988","77","","299","305","10.1016/0022-4596(88)90252-6","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001385","7.394","0.001","7.936","0.003","9.726","0.003","90","","111.85","0.02","90","","529.7","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium titanium(III) diphosphate - $-beta","","- Na O7 P2 Ti -","- Na O7 P2 Ti -","- Na4 O28 P8 Ti4 -","4","1","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B","Two forms of sodium titanium(III) diphosphate: $-alpha-Na Ti P~2~ O~7~ closely related to $-beta-Cristobalite and $-beta-Na Ti P~2~ O~7~ isotypic with Na Fe P~2~ O~7~","Journal of Solid State Chemistry","1988","77","","299","305","10.1016/0022-4596(88)90252-6","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1529556","5.662","","5.861","","6.869","","100.84","","95.03","","106.57","","212.151","","","","","","","","","","","","","4","P -1","-P 1","2","","Mg Mo O4 (H2 O)","","- H2 Mg Mo O5 -","- H2 Mg Mo O5 -","- H4 Mg2 Mo2 O10 -","2","1","","Amberg, M.; Guenter, J.R.; Schmalle, H.W.; Blasse, G.","Preparation, crystal structure, and luminescence of magnesium molybdate and tungstate monohydrates, Mg Mo O4 H2 O and Mg W O4 H2 O","Journal of Solid State Chemistry","1988","77","","162","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529581","5.6523","","5.6523","","8.0084","","90","","90","","90","","255.856","","","","","","","","","","","","","4","I -4","I -4","82","","La W O0.6 N2.4","","- La N2.4 O0.6 W -","- La N2.39 O0.61 W -","- La4 N9.56 O2.44 W4 -","4","0.5","","Bacher, P.; Laurent, Y.; Antoine, P.; L'Haridon, P.; Marchand, R.; Roult, G.","Time-of-flight neutron diffraction study of the structure of the perovskite-type oxynitride LaWO~0.6N~2.4~","Journal of Solid State Chemistry","1988","77","1","67","71","10.1016/0022-4596(88)90091-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529611","10.5558","","10.5558","","10.5558","","90","","90","","90","","1176.18","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Pb1.49 Ta2 O6.28","","- O6.28 Pb1.49 Ta2 -","- O6.282 Pb1.494 Ta2 -","- O50.256 Pb11.952 Ta16 -","8","0.0416667","","Beech, F.; Jordan, W.M.; Santoro, A.; Catlow, C.R.A.; Steele, B.C.H.","Neutron powder diffraction structure and electrical properties of the defect pyrochlores Pb1.5 M2 O6.5 (M=Nb,Ta)","Journal of Solid State Chemistry","1988","77","","322","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","154087","2020-10-21","18:00:00",""
"1529970","3.64","","3.64","","12.037","","90","","90","","120","","138.118","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cr0.87 Ga1.8 S4 -","- Cr0.87 Ga1.8 S4 -","- Cr0.87 Ga1.8 S4 -","1","0.0833333","","Gastaldi, L.; Viticoli, S.; Guittard, M.; Simeone, M.G.; Tomas, A.","Structural properties of layer Cr.87 Ga1.80 S4 compound","Journal of Solid State Chemistry","1988","77","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530042","10.477","","10.312","","10.006","","90","","90","","90","","1081.04","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K Nb4 As O13","","- As K Nb4 O13 -","- As K Nb4 O13 -","- As4 K4 Nb16 O52 -","4","0.25","","Haddad, A.; Jouini, T.; Piffard, Y.; Jouini, N.","K Nb4 As O13: Preparation et structure cristalline","Journal of Solid State Chemistry","1988","77","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530247","4.335","","4.304","","7.146","","90","","90","","90.379","","133.326","","","","","","","","","","","","","4","P 1 1 2/n","-P 2ab","13","","Sr0.3 Ba0.7 F Cl","","- Ba0.7 Cl F Sr0.3 -","- Ba0.7 Cl F Sr0.3 -","- Ba1.4 Cl2 F2 Sr0.6 -","2","0.5","","Lasocha, W.; Eick, H.A.","Rietveld refinement of the structure of Sr.3 Ba.7 F Cl","Journal of Solid State Chemistry","1988","77","","90","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530283","9.511","","14.232","","6.437","","91.15","","105.92","","90.04","","837.711","","","","","","","","","","","","","4","P -1","-P 1","2","","Cs3 (Mo6 P10 O38)","","- Cs3 Mo6 O38 P10 -","- Cs3 Mo6 O38 P10 -","- Cs3 Mo6 O38 P10 -","1","0.5","","Lii, K.-H.; Wang, C.-C.","A new mixed-valence molybdenum phosphate with a tunnel structure: Cs3 Mo6 P10 O38","Journal of Solid State Chemistry","1988","77","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","155355","2020-10-21","18:00:00",""
"1530284","10.154","","8.641","","9.184","","90","","90","","90","","805.811","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Mo6 O10 -","- Ba Mo6 O10 -","- Ba4 Mo24 O40 -","4","0.5","","Lii, K.-H.; Wang, C.-C.; Wang, S.-L.","Zigzag octahedral cluster chains in Ba Mo6 O10","Journal of Solid State Chemistry","1988","77","","407","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530418","6.431","","14.031","","4.82","","90","","90","","90","","434.925","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cs H Se O3","","- Cs H O3 Se -","- Cs O3 Se -","- Cs4 O12 Se4 -","4","1","","Micka, Z.; Danek, M.; Podlahova, J.; Loub, J.; Strauch, B.; Hasek, J.","Molecular spectra and X-ray study of the alkali hydrogen selenites M H Se O3","Journal of Solid State Chemistry","1988","77","","306","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530502","7.568","","7.558","","8.168","","91.32","","89.72","","92.61","","466.589","","","","","","","","","","","","","5","P -1","-P 1","2","","Cu3 Mn2 F12 (H2 O)12","","- Cu3 F12 H24 Mn2 O12 -","- Cu3 F12 H24 Mn2 O12 -","- Cu3 F12 H24 Mn2 O12 -","1","0.5","","Nunez, P.; Tressaud, A.; Darriet, J.; Hagenmuller, P.; Babel, D.; Massa, W.; Kummer, S.","On new hydrated fluorides of trivalent manganese","Journal of Solid State Chemistry","1988","77","","240","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530525","17.034","","17.034","","21.26","","90","","90","","120","","5342.29","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Bi0.5 Sb1.5 (P O4)3","","- Bi0.5 O12 P3 Sb1.5 -","- Bi0.5 O12 P3 Sb1.5 -","- Bi12 O288 P72 Sb36 -","24","1.33333","","Oyetola, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.","Bi(III)05 Sb(V)1.5 (P O4)3: A new type of M2 (X O4)3 framework related to garnet and Nasicon","Journal of Solid State Chemistry","1988","77","","102","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","155650","2020-10-21","18:00:00",""
"1530847","3.853","","3.853","","15.913","","90","","90","","90","","236.238","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Tl1.1 Ba1.9 Ca1.9 Cu3 O9","","- Ba1.9 Ca1.9 Cu3 O9 Tl1.1 -","- Ba1.88 Ca1.9 Cu3 O9 Tl1.1 -","- Ba1.88 Ca1.9 Cu3 O9 Tl1.1 -","1","0.0625","","Subramanian, M.A.; Parise, J.B.; Sleight, A.W.; Calabrese, J.C.; Torardi, C.C.; Gopalakrishnan, J.","Crystal structure of Tl Ba2 Ca2 Cu3 O9","Journal of Solid State Chemistry","1988","77","","192","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","156063","2020-10-21","18:00:00",""
"1530853","5.75","","6.3953","","8.128","","90","","90","","90","","298.891","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Na I O3","","- I Na O3 -","- I Na O3 -","- I4 Na4 O12 -","4","0.5","","Svensson, C.; Stahl, K.","The Crystal Structure of Na I O3 at 293K","Journal of Solid State Chemistry","1988","77","","112","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539594","8.5096","","8.5096","","8.5096","","90","","90","","90","","616.208","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cd.25 Zn.75) Fe2 O4","","- Cd0.25 Fe2 O4 Zn0.75 -","- Cd0.25 Fe2 O4 Zn0.75 -","- Cd2 Fe16 O32 Zn6 -","8","0.0416667","","Arean, C.O.; Diaz, E.G.; Gonzales, J.M.R.; Garcia, M.A.V.","Crystal structure of cadmium-zinc ferrites","Journal of Solid State Chemistry","1988","77","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539595","8.5791","","8.5791","","8.5791","","90","","90","","90","","631.43","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cd.5 Zn.5) Fe2 O4","","- Cd0.5 Fe2 O4 Zn0.5 -","- Cd0.502 Fe2 O4 Zn0.5 -","- Cd4.016 Fe16 O32 Zn4 -","8","0.0416667","","Arean, C.O.; Diaz, E.G.; Gonzales, J.M.R.; Garcia, M.A.V.","Crystal structure of cadmium-zinc ferrites","Journal of Solid State Chemistry","1988","77","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539596","8.6336","","8.6336","","8.6336","","90","","90","","90","","643.54","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cd.75 Zn.25) Fe2 O4","","- Cd0.75 Fe2 O4 Zn0.25 -","- Cd0.75 Fe2 O4 Zn0.25 -","- Cd6 Fe16 O32 Zn2 -","8","0.0416667","","Arean, C.O.; Diaz, E.G.; Gonzales, J.M.R.; Garcia, M.A.V.","Crystal structure of cadmium-zinc ferrites","Journal of Solid State Chemistry","1988","77","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539597","8.6668","","8.6668","","8.6668","","90","","90","","90","","650.993","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cd.85 Zn.15) Fe2 O4","","- Cd0.85 Fe2 O4 Zn0.15 -","- Cd0.85 Fe2 O4 Zn0.15 -","- Cd6.8 Fe16 O32 Zn1.2 -","8","0.0416667","","Arean, C.O.; Diaz, E.G.; Gonzales, J.M.R.; Garcia, M.A.V.","Crystal structure of cadmium-zinc ferrites","Journal of Solid State Chemistry","1988","77","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539598","8.7089","","8.7089","","8.7089","","90","","90","","90","","660.526","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd Fe2 O4 -","- Cd Fe2 O4 -","- Cd8 Fe16 O32 -","8","0.0416667","","Arean, C.O.; Diaz, E.G.; Gonzales, J.M.R.; Garcia, M.A.V.","Crystal structure of cadmium-zinc ferrites","Journal of Solid State Chemistry","1988","77","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""