# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:32:29+02:00
# 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 'Acta Crystallographica, Section B') AND volume = 29 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
"1000162","12.75","0.002","12.637","0.002","3.986","0.002","90","","90","","90","","642.2","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","Potassium iron fluoride (0.6/1/3)","","- F3 Fe K0.6 -","- F3 Fe K0.6 -","- F30 Fe10 K6 -","10","2.5","","Hardy, A.-M.; Hardy, A.; Ferey, G.","Structure cristalline du bronze pseudo-quadratique K~0.6~ Fe F~3~: Transition pyrochlore-quadratique pour les composes K M M'~6~","Acta Crystallographica B (24,1968-38,1982)","1973","29","8","1654","1658","10.1107/S0567740873005200","","","","","","0.107","","","","","","","","","","","","","","","has coordinates","188477","2020-10-21","18:00:00",""
"1001032","17.65","0.02","17.92","0.02","3.87","0.005","90","","90","","90","","1224","","","","","","","","","","","","","3","C m 2 m","C -2 -2","38","","Lead diniobium oxide","","- Nb2 O6 Pb -","- Nb2 O6 Pb -","- Nb20 O60 Pb10 -","10","1.25","","Labbe, P; Frey, M; Allais, G","Nouvelles donnes structurales sur la variete ferroelectrique du metaniobate de plomb Pb Nb~2~ O~6~","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2204","2210","10.1107/S0567740873006345","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008033","5.11","0.01","10.3","","6.15","0.01","90","","90","","90","","323.7","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Cobalt uranium oxide (3/2/8)","","- Co3 O8 U2 -","- Co3 O8 U2 -","- Co6 O16 U4 -","2","0.25","","Bacmann, M","Structure cristalline du nouveau compose Co U~2~ O~8~","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1570","1572","10.1107/S0567740873005066","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100103","8.83","0.001","8.83","0.001","9.075","0.001","90","","90","","120","","612.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H36 Mg3 O27 S3 -","3","0.333333","","Flack, H","Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","656","658","10.1107/S0567740873003110","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"2105388","8.671","","6.386","","12.243","","90","","95.37","","90","","674.956","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","K Au Cl4","","- Au Cl4 K -","- Au Cl4 K -","- Au4 Cl16 K4 -","4","2","","Bonamico, M.; Dessy, G.","The crystal structure of anhydrous potassium tetrachloroaurate(III)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1735","1736","10.1107/S0567740873005406","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105419","6.833","","7.01","","11.125","","85.89","","102","","119.56","","453.092","","","","","","","","","","","","","3","P -1","-P 1","2","","Pb6 B10 O21","","- B10 O21 Pb6 -","- B10 O21 Pb6 -","- B10 O21 Pb6 -","1","0.5","","Krogh-Moe, J.; Wold-Hansen, P.S.","The crystal structure of hexalead pentaborate, (Pb O)6 (B2 O3)5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2242","2246","10.1107/S0567740873006412","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106153","4.8562","","4.8562","","4.0813","","90","","90","","120","","83.353","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Co17 Sm2)0.333","","- Co5.661 Sm0.666 -","- Co5.66 Sm0.67 -","- Co5.66 Sm0.67 -","1","0.0416667","","Khan, Y.","The crystal structure of R2 Co17 intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2502","2507","","","","","","","","","","","","","","","","","","","","","","has coordinates","145478","2020-10-21","18:00:00",""
"2106164","6.83","","6.83","","3.547","","90","","90","","90","","165.464","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Co In3 -","- Co In3 -","- Co2 In6 -","2","0.125","","Stadelmaier, H.H.; Schoebel, J.D.; Jones, R.A.; Shumaker, C.A.","The crystal structure of stoichiometric Co In3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2926","2929","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106234","9.811","","8.88","","5.139","","90","","90","","90","","447.718","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li (N2 H5) Be F4","","- Be F4 H5 Li N2 -","- Be F4 H5 Li N2 -","- Be4 F16 H20 Li4 N8 -","4","1","","Anderson, M.R.; Brown, I.D.; Vilminot, S.","Crystal data for Li (N2 H5) Be F4 and Li (N2 H5) S O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2625","2628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106292","5.559","","8.0703","","7.9098","","90","","99.35","","90","","350.141","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na2 (Be F4)","","- Be F4 Na2 -","- Be F4 Na2 -","- Be4 F16 Na8 -","4","1","","Deganello, S.","The crystal structure of - gamma-sodium beryllium tetrafluoride, Na2 Be F4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106311","10.314","","10.314","","10.314","","90","","90","","90","","1097.19","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Ir (N C S) (N H3)5) Cl2","","- C H15 Cl2 Ir N6 S -","- C0.996 Cl2 Ir N6 S0.996 -","- C3.984 Cl8 Ir4 N24 S3.984 -","4","0.0208333","","Flack, H.D.","Les Structures Cristallines et Moleculaires des Complexes Thiocyanato et Isothiocyanato d'Iridium ou de Rhodium(III). II. Isothiocyanatopenta-ammine iridium(III) dichloride","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2610","2611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106336","7.113","","9.049","","8.049","","90","","90","","90","","518.078","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","N H4 Sb Cl6 (H2 O)","","- Cl6 H6 N O Sb -","- Cl6 N O Sb -","- Cl12 N2 O2 Sb2 -","2","0.125","","Henke, H.; Buschmann, E.; Baernighausen, H.","The Crystal Structure of Ammonium Hexachloroantimonate(V) Monohydrate and the Crystal Data of the Anhydrous Compound","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2622","2624","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106339","15.63","","12.756","","4.441","","90","","90","","90","","885.43","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- In4 Te3 -","- In4 Te3 -","- In16 Te12 -","4","0.5","","Hogg, J.H.C.; Sutherland, H.H.","The crystal structure of tetraindium tritelluride","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2483","2488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106370","6.783","","6.783","","18.963","","90","","90","","90","","872.47","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Mg3 (As O4)2","","- As2 Mg3 O8 -","- As2 Mg3 O8 -","- As12 Mg18 O48 -","6","0.375","","Krishnamachari, N.; Calvo, C.","Magnesium Arsenate, Mg3 As2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2611","2613","","","","","","","","","","","","","","","","","","","","","","has coordinates","149388","2020-10-21","18:00:00",""
"2106402","4.049","","4.049","","6.939","","90","","90","","120","","98.52","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- La2 O2 S -","- La2 O2 S -","- La2 O2 S -","1","0.0833333","","Morosin, B.; Newman, D.J.","La2 O2 S structure refinement and crystal field","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2647","2648","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106438","12.183","","13.046","","4.39","","90","","90","","90","","697.744","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","K I Br2 (H2 O)","","- Br2 H2 I K O -","- Br2 H2 I K O -","- Br8 H8 I4 K4 O4 -","4","0.5","","Soled, S.; Carpenter, G.B.","The Crystal Structure of K I Br2 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2556","2559","","","","","","","","","","","","","","","","","","","","","","has coordinates","189208","2020-10-21","18:00:00",""
"2106457","18.46","","7.28","","6.712","","90","","90","","90","","902.018","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li N H3 O H S O4","","- H4 Li N O5 S -","- H4 Li N O5 S -","- H32 Li8 N8 O40 S8 -","8","1","","Vilminot, S.; Anderson, M.R.; Brown, I.D.","The Crystal Structure of Lithium Hydroxylammonium Sulphate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2628","2630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106471","5.469","","5.469","","5.469","","70.67","","70.67","","70.67","","141.079","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Cs (I Cl2)","","- Cl2 Cs I -","- Cl2 Cs I -","- Cl2 Cs I -","1","0.0833333","","van Bolhuis, F.; Tucker, P.A.","Refinement of the crystal structure of cesium dichloroiodide","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2613","2614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106472","5.487","","16.226","","5.506","","90","","90","","90","","490.211","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Bi2 (Mo O6)","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","1","","van den Elzen, A.F.; Rieck, G.D.","Redetermination of the structure of Bi2 Mo O6, koechlinite","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2436","2438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106814","9.638","","9.638","","9.638","","90","","90","","90","","895.284","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ba Al2 O4 (H2 O)","","- Al2 Ba H2 O5 -","- Al2 Ba1.01714 O5.14286 -","- Al14 Ba7.12 O36 -","7","0.145833","","Ahmed, A.H.M.; Dent Glasser, L.S.; King, M.G.","Barium aluminate hydrates. VI. The crystal structure of Ba O Al2 O3 H2 O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1166","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106816","8.45","","4.95","","8.21","","90","","107.5","","90","","327.51","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li2 (S O4)","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","1","","Alcock, N.W.; Evans, D.A.; Jenkins, H.D.B.","Lithium sulfate - a redetermination","Acta Crystallographica B (24,1968-38,1982)","1973","29","","360","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106817","7.51","","7.407","","6.069","","90","","90","","120","","292.368","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Tl3 F C O3","","- C F O3 Tl3 -","- C F O3 Tl3 -","- C2 F2 O6 Tl6 -","2","0.5","","Alcock, N.W.","The crystal structure of thallous fluoride carbonate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","498","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106830","7.554","","7.554","","14.452","","90","","90","","120","","714.188","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","La (Fe (C N)6) (H2 O)5","","- C6 H10 Fe La N6 O5 -","- C6 Fe La N6 O5 -","- C12 Fe2 La2 N12 O10 -","2","0.166667","","Bailey, W.E.; Williams, R.J.; Milligan, W.O.","The crystal structure of La Fe (C N)6 (H2 O)5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1365","1368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106841","11.66","","6.507","","6.859","","90","","90","","125","","426.29","","","","","","","","","","","","","4","B 1 1 2","B 2","5","","N H4 Sn F3","","- F3 H4 N Sn -","- F3 H4 N Sn -","- F12 H16 N4 Sn4 -","4","1","","Bergerhoff, G.; Goost, L.","Ammoniumfluorostannat(II)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","632","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106842","15.49","","15.49","","20.52","","90","","90","","90","","4923.57","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","La10 S14.5 O0.5","","- La10 O0.5 S14.5 -","- La10 O0.5 S14.5 -","- La80 O4 S116 -","8","0.25","","Besancon, P.; Carre, D.; Laruelle, P.","Mecanisme de la solution solide des oxysulfures de terres rares L10 S15-x Ox","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1064","1066","","","","","","","","","","","","","","","","","","","","","","has coordinates","160805","2020-10-21","18:00:00",""
"2106843","3.915","","7.56","","13.553","","90","","90","","90","","401.134","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Cr I2 -","- Cr I2 -","- Cr4 I8 -","4","0.5","","Besrest, F.; Jaulmes, S.","Structure cristalline de l'iodure de chrome: Cr I2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1560","1563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106844","14.054","","11.519","","14.496","","90","","102.58","","90","","2290.39","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N H4 Au Cl4 (H2 O).6667","","- Au Cl4 H5.3334 N O0.6667 -","- Au Cl4 H5.33333 N O0.666667 -","- Au12 Cl48 H64 N12 O8 -","12","1.5","","Bonamico, M.; Dessy, G.; Furlani, C.; Capece, F.M.","The crystal and molecular structure of ammonium tetrachloro aurate(III) 2/3 hydrate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1737","1739","","","","","","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2106845","8.333","","8.333","","5.008","","90","","90","","90","","347.75","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Ca (V4 O9)","","- Ca O9 V4 -","- Ca O9 V4 -","- Ca2 O18 V8 -","2","0.25","","Bouloux, J.C.; Galy, J.","Structure cristalline de l'hypovanadate Ca V4 O9","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1335","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106851","4.9733","","4.9733","","4.658","","90","","90","","120","","99.774","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Li2 Zr F6","","- F6 Li2 Zr -","- F6 Li2 Zr -","- F6 Li2 Zr -","1","0.0833333","","Brunton, G.","Li2 Zr F6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2294","2296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106852","8.603","","7.778","","11.858","","90","","135.46","","90","","556.544","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ga (P S4)","","- Ga P S4 -","- Ga P S4 -","- Ga4 P4 S16 -","4","1","","Buck, P.; Carpentier, C.D.","The crystal structure of gallium thiophosphate, Ga P S4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1864","1868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106853","29.71","","21.83","","3.941","","90","","90","","122","","2167.62","","","","","","","","","","","","","3","B 1 1 2/m","-B 2","12","","","","- Er9 La10 S27 -","- Er9 La10 S27 -","- Er18 La20 S54 -","2","0.25","","Carre, D.; Laruelle, P.","Structure cristalline du sulfure d'erbium et de lanthanum, Er9 La10 S27","Acta Crystallographica B (24,1968-38,1982)","1973","29","","70","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106855","11.195","","10.713","","11.179","","90","","90","","90","","1340.72","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca H As O4 (H2 O)3","","- As Ca H7 O7 -","- As Ca H7 O7 -","- As8 Ca8 H56 O56 -","8","1","","Catti, M.; Ferraris, G.","Hydrogen bonding in the crystalline state. Crystal structure of Ca H As O4 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106861","7.757","","7.757","","17.804","","90","","90","","120","","927.76","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Mo2 Br8","","- Br8 Cs3 Mo2 -","- Br8.1 Cs3 Mo2 -","- Br16.2 Cs6 Mo4 -","2","0.0833333","","Cotton, F.A.; Frenz, B.A.; Mester, Z.C.","The structure of tricesium octabromodimolybdate, an example of a space group ambiguity","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1515","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","161054","2020-10-21","18:00:00",""
"2106867","3.6518","","17.767","","9.048","","90","","118.91","","90","","513.89","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((N D2) C O (N D) C O (N D2)) (D2 O)0.77","","- C2 D5 N3 O2.77 -","- C2 D5 N3 O2.77 -","- C8 D20 N12 O11.08 -","4","1","","Craven, B.M.","Perdeuterated biuret hydrate C2 D5 N3 O2 (D2 O)0.77","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1525","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","161068","2020-10-21","18:00:00",""
"2106870","13.344","","13.344","","5.744","","90","","90","","120","","885.762","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pu3 Pd4","","- Pd4 Pu3 -","- Pd4 Pu3 -","- Pd24 Pu18 -","6","0.333333","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of Pu Pd4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","564","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","161074","2020-10-21","18:00:00",""
"2106902","7.5577","","8.2531","","5.5504","","109.87","","93.68","","109.15","","301.502","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca (H2 P O4)2","","- Ca H4 O8 P2 -","- Ca H4 O8 P2 -","- Ca2 H8 O16 P4 -","2","1","","Dickens, B.; Prince, E.; Schroeder, L.W.; Brown, W.E.","Ca (H2 P O4)2, a crystal structure containing unusual hydrogen bonding","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2057","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106911","6.114","","10.354","","16.97","","90","","90.1","","90","","1074.27","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 H P2 O7 (H2 O)3","","- H7 K3 O10 P2 -","- H7 K3 O10 P2 -","- H28 K12 O40 P8 -","4","1","","Dumas, Y.; Galigne, J.L.; Falgueirettes, J.","Structure cristalline de l'hydrogeno-pyrophosphate tripotassique trihydrate, K3 H P2 O7 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1623","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","163370","2020-10-21","18:00:00",""
"2106920","6.015","","6.072","","5.992","","90","","90","","90","","218.846","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Pt Ge Se","","- Ge Pt Se -","- Ge Pt Se -","- Ge4 Pt4 Se4 -","4","1","","Entner, P.; Parthe, E.","Pt Ge Se with cobaltite structure, a ternary variant of the pyrite structure","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1557","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106948","5.691","","10.03","","7.592","","90","","103.53","","90","","421.33","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu (Zr F6) (H2 O)4","","- Cu F6 H8 O4 Zr -","- Cu F6 O4 Zr -","- Cu2 F12 O8 Zr2 -","2","0.5","","Fischer, J.; Weiss, R.","Stereochimies du zirconium et du cuivre dans les fluorozirconates de cuivre hydrates. I. Structure cristalline de Cu Zr F6 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1955","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106949","6.631","","9.981","","12.921","","90","","114.2","","90","","780.012","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K2 Cu (Zr F6)2 (H2 O)6","","- Cu F12 H12 K2 O6 Zr2 -","- Cu F12 H12 K2 O6 Zr2 -","- Cu2 F24 H24 K4 O12 Zr4 -","2","0.5","","Fischer, J.; Weiss, R.","Stereochimies du zirconium et du cuivre dans les fluorozirconates de cuivre hydrates. II. Etude de l'ion complexe binucleaire ((Zr F6)2)(4-) dans K2 Cu (Zr F6)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1958","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2106950","15.924","","9.625","","12.153","","90","","121.69","","90","","1584.95","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu2 (Zr F8) (H2 O)12","","- Cu2 F8 H24 O12 Zr -","- Cu2 F8 H24 O12 Zr -","- Cu8 F32 H96 O48 Zr4 -","4","0.5","","Fischer, J.; Elchinger, R.; Weiss, R.","Stereochimies du zirconium et du cuivre dans les fluorozirconates de cuivre hydrates. IV. Etude de l'ion complexe (Zr F8)4- dans Cu Zr F8 (H2 O)1/2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1967","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2106952","7.506","","15.744","","14.108","","90","","121.75","","90","","1417.71","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Ir (S C N) (N H3)5) (Cl O4)2","","- C H15 Cl2 Ir N6 O8 S -","- C H15 Cl2 Ir N6 O8 S -","- C4 H60 Cl8 Ir4 N24 O32 S4 -","4","1","","Flack, H. D.; Parthe, E.","The crystal and molecular structure of thiocyanato and isothyocyanato Ir and Rh complexes. I. Thiocyanatopenta-ammineiridium(III) diperchlorate, Ir S C N (N H3)5 (Cl O4)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1099","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106957","10.33","","10.33","","20.38","","90","","90","","90","","2174.73","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Mg (H2 P O2)2 (H2 O)6","","- H16 Mg O10 P2 -","- H16 Mg O10 P2 -","- H128 Mg8 O80 P16 -","8","0.25","","Galigne, J.L.; Dumas, Y.","Nouvelle determination de la structure cristalline de l'hypophosphite de magnesium hexahydrate Mg (P O2 H2)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1115","1119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106968","7.29","","7.29","","27.48","","90","","90","","120","","1264.74","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Cs Mn Cl3","","- Cl3 Cs Mn -","- Cl3 Cs Mn -","- Cl27 Cs9 Mn9 -","9","0.5","","Goodyear, J.; Kennedy, D.J.","The crystal structure of Cs Mn Cl3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","744","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106969","5.916","","5.577","","3.587","","90","","90","","90","","118.348","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Pt Si -","- Pt Si -","- Pt4 Si4 -","4","0.5","","Graeber, E.J.; Baughman, R.J.; Morosin, B.","Crystal structure and linear thermal expansivities of platinum silicide and platinum germanide","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1991","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106986","6.0848","","12.1396","","6.2356","","90","","97.058","","90","","457.115","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba Sn S2","","- Ba S2 Sn -","- Ba S2 Sn -","- Ba4 S8 Sn4 -","4","1","","Iglesias, J.E.; Steinfink, H.","A variant of the Na Cl structure type: Ba Sn S2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1480","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106993","10.921","","10.921","","10.765","","90","","90","","120","","1111.91","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Co (N H3)6 Co (C N)6","","- C6 H18 Co2 N12 -","- C6 H18 Co2 N12 -","- C18 H54 Co6 N36 -","3","0.166667","","Iwata, M.; Saito, Y.","The crystal structure of hexamminecobalt(III) hexacyanocobaltate(III): an accurate determination","Acta Crystallographica B (24,1968-38,1982)","1973","29","","822","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","165625","2020-10-21","18:00:00",""
"2107000","10.36","","13.12","","6.4","","90","","90","","90","","869.908","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Er3 Ga S6 -","- Er3 Ga S6 -","- Er12 Ga4 S24 -","4","0.5","","Jaulmes, S.; Laruelle, P.","Structure cristalline du sulfure d'erbium-gallium, Er3 Ga S6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","352","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107003","17.006","","11.952","","16.093","","90","","108.44","","90","","3103.05","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","La2 (Mo O4)3","","- La2 Mo3 O12 -","- La2 Mo3 O12 -","- La24 Mo36 O144 -","12","1.5","","Jeitschko, W.","Crystal structure of La (Mo O4)3, a new ordered defect Scheelite type","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2074","2081","","","","","","","","","","","","","","","","","","","","","","has coordinates","165650","2020-10-21","18:00:00",""
"2107004","8.213","","3.034","","7.098","","90","","119.47","","90","","153.985","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Cr P2 -","- Cr P2 -","- Cr4 P8 -","4","0.5","","Jeitschko, W.; Donohue, P.C.","High-pressure Cr P2 and Cr As2 with Os Ge2-type structures and crystal chemistry of transition-metal dipnictides","Acta Crystallographica B (24,1968-38,1982)","1973","29","","783","789","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107005","11.282","","6.055","","5.154","","90","","112.27","","90","","325.82","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hg (Mo O4)","","- Hg Mo O4 -","- Hg Mo O4 -","- Hg4 Mo4 O16 -","4","0.5","","Jeitschko, W.; Sleight, A.W.","The crystal structure of Hg Mo O4 and related compounds","Acta Crystallographica B (24,1968-38,1982)","1973","29","","869","875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107017","6.464","","11.8697","","7.9518","","90","","98.911","","90","","602.744","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2","","- C4 H8 Cs Nb O13 -","- C4 H8 Cs Nb O13 -","- C8 H16 Cs2 Nb2 O26 -","2","0.5","","Kojic-Prodic, B.; Liminga, R.; Scavnicar, S.","The crystal structure of cesium oxobisoxalatobisaquoniobate(V) dihydrate, Cs Nb O (C2 O4)2 (H2 O)2 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","864","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2107028","11.228","","12.329","","6.898","","90","","90","","90","","954.89","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) H (C2 O4) (H2 O)0.5","","- C2 H6 N O4.5 -","- C2 H6 N O4.5 -","- C16 H48 N8 O36 -","8","1","","Kueppers, H.","The crystal structure of ammonium hydrogen oxalate hemihydrate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","318","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107029","19.471","","7.631","","8.609","","90","","90","","90","","1279.15","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Ba (Fe (C N)5 (N O)) (H2 O)2","","- C5 H4 Ba Fe N6 O3 -","- C5 Ba Fe N6 O3 -","- C20 Ba4 Fe4 N24 O12 -","4","1","","Lanfranconi, A.H.; Alvarez, A.G.; Castellano, E.E.","The crystal and molecular structure of barium nitroprusside dihydrate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1733","1734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107039","7.588","","7.588","","6.506","","90","","90","","120","","324.414","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Cs (Cr Br3)","","- Br3 Cr Cs -","- Br3 Cr Cs -","- Br6 Cr2 Cs2 -","2","0.166667","","Li, T.I.; Stucky, G.D.","The effect of exchange coupling on the spectra of transition metal ions. The crystal structure and optical spectrum of Cs Cr Br3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1529","1532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107040","7.29","","7.29","","27.317","","90","","90","","120","","1257.24","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cs (Mn Cl3)","","- Cl3 Cs Mn -","- Cl3 Cs Mn -","- Cl27 Cs9 Mn9 -","9","0.25","","Li, T.I.; Stucky, G.D.; McPherson, G.L.","The crystal structure of Cs Mn Cl3 and a summary of the structures of R M X3 compounds","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1330","1335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107043","12.194","","12.194","","7.557","","90","","90","","90","","1123.68","","","","","","","","","","","","","9","P 42/n :1","P 4n -1n","86","","Ca7.32 K0.192 Na0.392 (Al11.448 Si12.552 O48) (C O3)1.896 Cl0.054 (S O4)0.054","","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O53.904 S0.054 Si12.552 -","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O54 S0.054 Si12.552 -","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O54 S0.054 Si12.552 -","1","0.125","","Lin, S.B.; Burley, B.J.","The crystal structure of meionite","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2024","2026","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107044","5.368","","4.696","","7.955","","90","","104.82","","90","","193.86","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","Te2 O5","","- O5 Te2 -","- O5 Te2 -","- O10 Te4 -","2","1","","Lindqvist, O.; Moret, J.","The crystal structure of ditellurium pentoxide, Te2 O5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","643","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","165844","2020-10-21","18:00:00",""
"2107050","7.038","","9.658","","11.182","","90","","100.96","","90","","746.21","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn3 (O H)4 (N O3)2","","- H4 N2 O10 Zn3 -","- N2 O10 Zn3 -","- N8 O40 Zn12 -","4","1","","Louer, M.; Grandjean, D.; Weigel, D.","Etude structurale des hydroxynitrates de nickel et de zinc. II. Structure cristalline du nitrate basique de zinc (Zn (O H)2)2 Zn (N O3)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1703","1706","","","","","","","","","","","","","","","","","","","","","","has coordinates","165861","2020-10-21","18:00:00",""
"2107053","3.874","","3.874","","40.314","","90","","90","","90","","605.028","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Sr3 Fe2 O7","","- Fe2 O7 Sr3 -","- Fe2 O7 Sr3 -","- Fe8 O28 Sr12 -","4","0.25","","Lucchini, E.; Minichelli, D.; Sloccari, G.","The crystal structure of alpha-Sr3 Fe2 O7-x","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2356","2357","","","","","","","","","","","","","","","","","","","","","","has coordinates","165865","2020-10-21","18:00:00",""
"2107054","5.448","","5.448","","8.091","","90","","90","","120","","207.973","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","Ba Sr Fe4 O8","","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","1","0.0833333","","Lucchini, E.; Minichelli, D.; Meriani, S.","The crystal structure of beta-Ba Sr Fe4 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","919","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107055","5.683","","5.683","","13.916","","90","","90","","120","","389.225","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Fe O2.67 -","- Ba Fe O2.67 -","- Ba6 Fe6 O16.02 -","6","0.25","","Lucchini, E.; Meriani, S.; Minichelli, D.","An X-ray study of two phases of Ba Fe O3-x","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1217","1219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107071","5.719","","3.697","","6.084","","90","","90","","90","","128.635","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Pt -","- Ge Pt -","- Ge4 Pt4 -","4","0.5","","Graeber, E.J.; Morosin, B.; Baughman, R.J.","Crystal structure and linear thermal expansitivities of platinum silicide and platinum germanide","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1991","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107080","14.829","","22.98","","6.383","","90","","90","","90","","2175.14","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ca (I O3)2 (H2 O)6","","- Ca H12 I2 O12 -","- Ca I2 O12 -","- Ca8 I16 O96 -","8","0.5","","Morosin, B.; Bergman, J.G.; Crane, G.R.","Crystal structure, linear and nonlinear optical properties of Ca (I O3)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1067","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107093","7.07","","14.1","","8.17","","90","","103.9","","90","","790.593","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K0.5 (K0.05 Rb0.45) (H S O4)","","- H K0.55 O4 Rb0.45 S -","- K0.55 O4 Rb0.45 S -","- K4.4 O32 Rb3.6 S8 -","8","2","","Mumme, W.G.","Alkali metal ordering and hydrogen bonding in the system K H S O4 - Rb H S O4: The crystal structures of Kx Rb1-x H S O4 (x=0.3-0.55) and Rb H S O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1076","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107094","14.29","","4.61","","14.76","","90","","120.4","","90","","838.659","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb (H S O4)","","- H O4 Rb S -","- O4 Rb S -","- O32 Rb8 S8 -","8","2","","Mumme, W.G.","Alkali metal ordering and hydrogen bonding in the system K H S O4 - Rb H S O4: The crystal structures of Kx Rb1-x H S O4 (x=0.3-0.55) and Rb H S O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1076","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107098","7.893","","7.641","","12.702","","90","","90","","101.39","","750.976","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","La2 Ge S5","","- Ge La2 S5 -","- Ge La2 S5 -","- Ge4 La8 S20 -","4","1","","Mazurier, A.; Etienne, J.","Structure cristalline de La Ge S5","Acta Crystallographica B (24,1968-38,1982)","1973","29","","817","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107099","9.912","","6.314","","4.08","","90","","90","","90","","255.344","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Y F Se","","- F Se Y -","- F Se Y -","- F4 Se4 Y4 -","4","0.5","","Nguyen, H.D.","Structure cristalline du fluoroseleniure d'yttrium orthorhombique Y Se F1O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2095","2097","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107100","5.949","","9.277","","5.465","","101.06","","90.65","","117.29","","261.349","","","","","","","","","","","","","5","P -1","-P 1","2","","Ag Na S O3 (H2 O)2","","- Ag H4 Na O5 S -","- Ag Na O5 S -","- Ag2 Na2 O10 S2 -","2","1","","Niinisto, L.; Larsson, L.O.","The crystal structure of silver sodium sulphite dihydrate Ag Na S O3 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","623","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107111","7.579","","7.579","","5.375","","90","","90","","90","","308.747","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","Cs (Al (N H2)4)","","- Al Cs H8 N4 -","- Al Cs H8 N4 -","- Al2 Cs2 H16 N8 -","2","0.25","","Molinie, P.; Brec, R.; Rouxel, J.; Herpin, P.","Structures des amidoaluminates alcalins M Al (N H2)4, (M=Na,K,Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107112","10","","5.8","","10.14","","90","","90","","90","","588.12","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","K (Al (N H2)4)","","- Al H8 K N4 -","- Al H8 K N4 -","- Al4 H32 K4 N16 -","4","0.5","","Molinie, P.; Brec, R.; Rouxel, J.; Herpin, P.","Structures des amidoaluminates alcalins M Al (N H2)4, (M= Na, K, Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107113","7.324","","6.05","","13.18","","90","","94.25","","90","","582.403","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na (Al (N H2)4)","","- Al H8 N4 Na -","- Al H8 N4 Na -","- Al4 H32 N16 Na4 -","4","1","","Molinie, P.; Brec, R.; Herpin, P.; Rouxel, J.","Structures des amidoaluminates alcalins M Al (N H2)4, (M= Na, K, Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107114","7.423","","6.107","","12.85","","90","","90.25","","90","","582.514","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Ga (N H2)4","","- Ga H8 N4 Na -","- Ga H8 N4 Na -","- Ga4 H32 N16 Na4 -","4","1","","Molinie, P.; Herpin, P.; Brec, R.; Rouxel, J.","Structures des amidoaluminates alcalins M Al (N H2)4, (M=Na,K,Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107115","5.16","","5.16","","13.811","","90","","90","","120","","318.46","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba Fe4 O7 -","- Ba Fe4 O7 -","- Ba2 Fe8 O14 -","2","0.166667","","Okamoto, S.; Okamoto, S.I.; Ito, T.","The crystal structure of barium diferrite","Acta Crystallographica B (24,1968-38,1982)","1973","29","","832","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107118","7.82","","10.36","","9.54","","89.5","","110.1","","113.4","","658.758","","","","","","","","","","","","","3","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Na2 (Cr2 O7)","","- Cr2 Na2 O7 -","- Cr2 Na2 O7 -","- Cr8 Na8 O28 -","4","1","","Panagiotopoulos, N.C.; Brown, I.D.","The crystal structure of alpha Na Cr2 O7 and the alpha-beta phase transition","Acta Crystallographica B (24,1968-38,1982)","1973","29","","890","894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107122","7.408","","14.198","","7.148","","90","","90","","90","","751.818","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Na4.26 Nb3.94 Si8 O24.12 O2.8 (O H)1.2 (H2 O)8","","- H17.2 Na4.26 Nb3.94 O36.12 Si8 -","- Na4.264 Nb3.944 O36 Si8 -","- Na4.264 Nb3.944 O36 Si8 -","1","0.125","","Perrault, G.; Boucher, C.; Rossi, G.; Vicat, J.; Cannillo, E.","Structure cristalline du Nenadkevichite (Na,K)2-x (Nb,Ti) (O, O H) Su2 O6 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1432","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","167031","2020-10-21","18:00:00",""
"2107129","10.118","","15.187","","6.626","","90","","100.4","","90","","1001.44","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","Ca7 (Si6 O18) (C O3) (H2 O)2","","- C H4 Ca7 O23 Si6 -","- C Ca7 O23 Si6 -","- C2 Ca14 O46 Si12 -","2","0.25","","Pluth, J.J.; Smith, J.V.","The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2107131","7.873","","12.858","","7.39","","90","","90","","90","","748.097","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H8 N8 S24 -","4","0.5","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The N-S bond lengths in the isomers S6 (N H)2. Refinement of the crystal structure of S6 (N H)2 -II","Acta Crystallographica B (24,1968-38,1982)","1973","29","","915","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","167076","2020-10-21","18:00:00",""
"2107133","7.156","","3.636","","21.52","","90","","90","","90","","559.934","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hg2 V2 O7","","- Hg2 O7 V2 -","- Hg2 O7 V2 -","- Hg8 O28 V8 -","4","0.5","","Quarton, M.; Angenault, J.; Rimsky, A.","Structure cristalline de alpha-Hg2 V2 O7","Acta Crystallographica B (24,1968-38,1982)","1973","29","","567","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","167102","2020-10-21","18:00:00",""
"2107134","6.69","","13.86","","10","","90","","113.2","","90","","852.254","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- As4 Se4 -","- As4 Se4 -","- As16 Se16 -","4","1","","Renninger, A.L.; Averbach, B.L.","Crystalline structures of As2 Se and As4 Se4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1583","1589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107135","4.3","","9.94","","12.84","","90","","109.1","","90","","518.595","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- As2 Se3 -","- As2 Se3 -","- As8 Se12 -","4","1","","Renninger, A.L.; Averbach, B.L.","Crystalline structures of As2 Se and As4 Se4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1583","1589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107141","15.649","","7.087","","8.689","","90","","118.11","","90","","849.981","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs (U2 F9)","","- Cs F9 U2 -","- Cs F9 U2 -","- Cs4 F36 U8 -","4","0.5","","Rosenzweig, A.; Cromer, D.T.; Ryan, R.R.","The crystal structure of cesium nonafluorodiuranate(IV), Cs U2 F9","Acta Crystallographica B (24,1968-38,1982)","1973","29","","460","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107145","4.062","","4.062","","16.693","","90","","90","","120","","238.531","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y F S","","- F S Y -","- F S Y -","- F4 S4 Y4 -","4","0.166667","","Rysanek, N.; Loye, O.","Structure cristalline de Y S F (beta)","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1567","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107147","12.373","","10.822","","14.444","","90","","133.87","","90","","1394.29","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (Al2 Br7)","","- Al2 Br7 K -","- Al2 Br7 K -","- Al8 Br28 K4 -","4","1","","Rytter, E.D.; Krogh-Moe, J.; Oye, H.A.","Potassium heptabromodialuminate, K Al2 Br7","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1541","1543","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107151","6.03","","11.486","","8.312","","90","","90","","90","","575.694","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Co3 V2 O8","","- Co3 O8 V2 -","- Co3 O8 V2 -","- Co12 O32 V8 -","4","","","Sauerbrei, E.E.; Calvo, C.; Faggiani, R.","Refinement of the crystal structures of Co V2 O8 and Ni V2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2304","2306","","","","","","","","","","","","","","","","","","","","","","has coordinates","167192","2020-10-21","18:00:00",""
"2107152","5.936","","11.42","","8.24","","90","","90","","90","","558.582","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ni3 V2 O8","","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","","","Sauerbrei, E.E.; Calvo, C.; Faggiani, R.","Refinement of the crystal structures of Co V2 O8 and Ni V2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2304","2306","","","","","","","","","","","","","","","","","","","","","","has coordinates","167193","2020-10-21","18:00:00",""
"2107153","6.94","","6.91","","7.05","","90","","90","","99.28","","333.661","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Nd S Br","","- Br Nd S -","- Br Nd S -","- Br4 Nd4 S4 -","4","1","","Savigny, N.; Adolphe, C.; Zalkin, A.; Templeton, D.H.","Structure de Nd S Br et des sulfobromures de terres rares isotypes","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1532","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107154","4.54","","4.54","","32.69","","90","","90","","120","","583.522","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sm S I","","- I S Sm -","- I S Sm -","- I6 S6 Sm6 -","6","0.166667","","Savigny, N.; Laruelle, P.; Flahaut, J.","Structure cristalline du sulfoiodure de samarium, Sm S I","Acta Crystallographica B (24,1968-38,1982)","1973","29","","345","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107163","7.972","","13.03","","7.757","","90","","103.99","","90","","781.859","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Tl4 S3","","- S3 Tl4 -","- S3 Tl4 -","- S12 Tl16 -","4","1","","Leclerc, B.; Bailly, M.","Structure cristalline du sulfure de thallium: Tl4 S3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2334","2334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107173","9.7329","","9.7329","","6.1566","","90","","90","","90","","583.211","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I8 Li8 O24 -","8","1","","Schulz, H.","The structure of beta-Li I O3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2285","2289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107174","13.949","","4.133","","17.532","","90","","114.763","","90","","917.802","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(H S B S)3","","- B3 H3 S6 -","- B3 S6 -","- B12 S24 -","4","1","","Schwarz, W.; Hausen, H.D.; Krebs, B.; Mandt, J.; Hess, H.; Schmelzer, W.","Trimere Metathioborsaeure","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2029","2031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107179","8.507","","10.907","","12.126","","90","","107.82","","90","","1071.14","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (I Cl2)","","- Cl2 I K -","- Cl2 I K -","- Cl16 I8 K8 -","8","2","","Soled, S.; Carpenter, G.B.","The crystal structures of K I Cl2 and K I Cl2 H2 O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2104","2109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107180","8.022","","9.611","","4.354","","90","","97.03","","90","","333.167","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","K I Cl2 H2 O","","- Cl2 H2 I K O -","- Cl2 H2 I K O -","- Cl4 H4 I2 K2 O2 -","2","0.5","","Soled, S.; Carpenter, G.B.","The crystal structure of K I Cl2 and K I Cl2 H2 O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2104","2109","","","","","","","","","","","","","","","","","","","","","","has coordinates","189208","2020-10-21","18:00:00",""
"2107181","5.9634","","9.975","","9.708","","90","","98.661","","90","","570.894","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","H3 O C F3 S O3","","- C H3 F3 O4 S -","- C H3 F3 O4 S -","- C4 H12 F12 O16 S4 -","4","1","","Spencer, J.B.; Lundgren, J.O.","Hydrogen-bond studies. LXXIII. The crystal structure of trifluoromethanesulphonic acid monohydrate, (H3 O)(+) (C F3 S O3)(-), at 298 and 83K","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1923","1928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107192","5.725","","8.409","","8.72","","90","","90","","90","","419.794","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U O2 Cl2","","- Cl2 O2 U -","- Cl2 O2 U -","- Cl8 O8 U4 -","4","0.5","","Taylor, J.C.; Wilson, P.W.","The structure of anhydrous uranyl chloride by powder neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1073","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107193","9.5965","","9.5965","","11.7885","","90","","90","","90","","1085.64","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Na2 S4 -","- Na2 S4 -","- Na16 S32 -","8","0.5","","Tegman, R.","The crystal structure of sodium tetrasulfide, Na2 S4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1463","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107196","7.224","","12.512","","6.84","","90","","110.6","","90","","578.714","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Gd Br3","","- Br3 Gd -","- Br3 Gd -","- Br12 Gd4 -","4","0.5","","Thomas, H.H.; Baker, W.A.","The crystal structure and X-ray diffraction data for anhydrous gadolinium bromide","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1740","1743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107197","3.5792","","13.3228","","5.0965","","90","","102.6","","90","","237.174","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N2 H5 H C2 O4","","- C2 H6 N2 O4 -","- C2 H6 N2 O4 -","- C4 H12 N4 O8 -","2","0.5","","Thomas, J.O.","Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1767","1776","","","","","","","","","","","","","","","","","","","","","","has coordinates","168227","2020-10-21","18:00:00",""
"2107198","3.5858","","13.3085","","5.1001","","90","","102.488","","90","","237.627","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","N2 D5 D C2 O4","","- C2 D6 N2 O4 -","- C2 D6 N2 O4 -","- C4 D12 N4 O8 -","2","1","","Thomas, J.O.","Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1767","1776","","","","","","","","","","","","","","","","","","","","","","has coordinates","168230","2020-10-21","18:00:00",""
"2107211","8.356","","10.186","","7.039","","90","","90","","90","","599.119","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","In O F","","- F In O -","- F In O -","- F16 In16 O16 -","16","0.5","","Vlasse, M.; Chamberland, B.L.; Massies, J.C.","Etude structurale de l'oxyfluorure d'indium","Acta Crystallographica B (24,1968-38,1982)","1973","29","","627","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107213","6.591","","6.591","","18.627","","90","","90","","120","","700.771","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na Mn Cl3","","- Cl3 Mn Na -","- Cl3 Mn Na -","- Cl18 Mn6 Na6 -","6","0.333333","","van Loon, C.J.J.; Verschoor, G.C.","The crystal structure of Na Mn Cl3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1224","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107214","7.685","","11.491","","11.929","","90","","115.4","","90","","951.601","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bi2 (Mo O4)3","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","van den Elzen, A.F.; Rieck, G.D.","The crystal structure of Bi2 (Mo O4)3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2433","2436","","","","","","","","","","","","","","","","","","","","","","has coordinates","168479","2020-10-21","18:00:00",""
"2107222","29.71","","3.941","","25.92","","90","","134.4","","90","","2168.35","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Er9 La10 S27 -","- Er9 La10 S27 -","- Er18 La20 S54 -","2","0.25","","Carre, D.; Laruelle, P.","Structure cristalline du sulfure d'erbium et de lanthane, Er9 La10 S27","Acta Crystallographica B (24,1968-38,1982)","1973","29","","70","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107241","11.97","","11.97","","11.97","","90","","90","","90","","1715.07","","","","","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","Ca12 Al14 O32 F2","Fluormayenite","- Al14 Ca12 F2 O32 -","- Al14 Ca12.24 F1.98 O32 -","- Al28 Ca24.48 F3.96 O64 -","2","0.0416667","","Williams, P.P.","Refinement of the structure of (Ca O)11 (Al2 O3)7 Ca F2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1550","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2107242","6.096","","7.681","","10.545","","90","","92.99","","90","","493.08","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba2 (Ti O4)","","- Ba2 O4 Ti -","- Ba2 O4 Ti -","- Ba8 O16 Ti4 -","4","1","","Wu, K.K.; Brown, I.D.","The crystal structure of beta-barium orthotitanate, beta-Ba Ti O4, and the bond strength-bond length curve of Ti-O","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2009","2012","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107333","3.079","","3.079","","475.9778","","90","","90","","120","","3907.84","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C189 Si189 -","189","10.5","","Dubey, M.; Ram, U.S.; Singh, G.","A new polytype of silicon carbide, 189R","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1548","1550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107341","21.8","","21.8","","21.8","","90","","90","","90","","10360.2","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","(Co (N H3)6)4 Cu5 Cl17","","- Cl17 Co4 Cu5 H72 N24 -","- Cl16.62 Co4 Cu5 H72 N24 -","- Cl132.96 Co32 Cu40 H576 N192 -","8","0.0833333","","Murray-Rust, P.","The Crystal Structure of (Co (N H3)6)4 Cu5 Cl17: A Twinned Cubic Crystal","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2559","2566","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2107349","11.803","","11.803","","23.42","","90","","90","","90","","3262.66","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Na3 Be Th10 F45","","- Be F45 Na3 Th10 -","- Be F45 Na3 Th10 -","- Be4 F180 Na12 Th40 -","4","0.25","","Brunton, G.","The crystal Structure of Na3 Be Th10 F45","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2976","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000006","16.02","0.01","7.762","0.006","5.119","0.004","90","","90","","90","","636.53","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C.","Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine","Acta Crystallographica Section B","1973","29","11","2571","2575","10.1107/S0567740873007028","","","","","","","","","","","","","","","","","","","","","has coordinates","175294","2020-10-21","18:00:00",""
"5000032","10.043","0.005","18.424","0.005","7.787","0.005","90","","90","","90","","1440.85","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Busetta, B.; Courseille, C.; Hospital, M.","Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone","Acta Crystallographica Section B","1973","29","2","298","313","10.1107/S0567740873002384","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000078","9.22","0.03","12.66","0.03","12.67","0.03","89.7","0.3","43.9","0.3","98.6","0.3","1000.08","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Fallon, III, L.","The crystal and molecular structure of 5-fluorouracil","Acta Crystallographica Section B","1973","29","11","2549","2556","10.1107/S0567740873006989","","","","","","","","","","","","","","","","","","","","","has coordinates","187371","2020-10-21","18:00:00",""
"5000166","10.256","0.001","8.678","0.002","8.558","0.001","90","","121","0.1","90","","652.88","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O -","- C8 H8 O -","- C32 H32 O4 -","4","1","","Tanimoto, Y.; Kobayashi, H.; Nagakura, S.; Saito, Y.","The crystal structure of acetophenone at 154 K","Acta Crystallographica Section B","1973","29","9","1822","1826","10.1107/S0567740873005583","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007571","6.6918","","25.744","","11.538","","90","","95.15","","90","","1979.67","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Rosslerite","- As H15 Mg O11 -","- As H15 Mg O11 -","- As8 H120 Mg8 O88 -","8","1","","Ferraris, G.; Franchini-Angela M","Hydrogen bonding in the crystalline state. Crystal structure of MgHAsO4*7H2O roesslerite Note: B(1,3) of O2 was altered to reproduce axial lengths","Acta Crystallographica, Section B","1973","29","","286","292","10.1107/S0567740873002360","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9007572","5.289","","5.289","","10.423","","90","","90","","90","","291.568","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu Fe S2 -","- Cu4 Fe4 S8 -","4","0.25","","Hall, S. R.; Stewart, J. M.","The crystal structure refinement of chalcopyrite, CuFeS2","Acta Crystallographica, Section B","1973","29","","579","585","10.1107/S0567740873002943","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007573","7.054","","6.205","","11.368","","90","","90","","90","","497.578","","","","","","","","","","","","Synthetic","5","P m n 21","P 2ac -2","31","","","Arsenstruvite","- As H16 Mg N O10 -","- As H16 Mg N O10 -","- As2 H32 Mg2 N2 O20 -","2","0.5","","Ferraris, 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","10.1107/S0567740873003456","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007574","6.38","","6.38","","6.57","","90","","90","","90","","267.428","","","","","","","","","","","","Potgietersrust district, Transvaal, South Africa","4","P 42/m","-P 4c","84","","","Braggite","- Ni0.5 Pd Pt2.5 S4 -","- Ni0.5001 Pd Pt2.4999 S4 -","- Ni1.0002 Pd2 Pt4.9998 S8 -","2","0.25","","Childs, J. D.; Hall, S. R.","The crystal structure of braggite, (Pt,Pd,Ni)S","Acta Crystallographica, Section B","1973","29","","1446","1451","10.1107/S056774087300470X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007575","20.089","","7.146","","6.56","","90","","90","","90","","941.727","","","","","","","","","","","","","6","P m n 21","P 2ac -2","31","","","Caledonite","- C H6 Cu2 O21 Pb5 S3 -","- C H6 Cu2 O21 Pb5 S3 -","- C2 H12 Cu4 O42 Pb10 S6 -","2","0.5","","Giacovazzo, C.; Menchetti, S.; Scordari, F.","The crystal structure of caledonite, Cu2Pb5(SO4)3CO3(OH)6","Acta Crystallographica, Section B","1973","29","9","1986","1990","10.1107/S056774087300590X","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007576","16.398","","16.398","","7.2","","90","","90","","120","","1676.66","","","","","","","","","","","","Esquire No. 7 mine, Big Creek, Fresno County, California, USA","8","P 6/m m m","-P 6 2","191","","","Verplanckite","- Ba6 Cl4.6 Fe0.15 H0.5 Mn2.082 O19 Si6 Ti0.768 -","- Ba6 Cl4.6 Fe0.15 H0.5 Mn2.082 O19 Si6 Ti0.768 -","- Ba12 Cl9.2 Fe0.3 H Mn4.164 O38 Si12 Ti1.536 -","2","0.0833333","","Kampf, A. R.; Khan, A. A.; Baur, W. H.","Barium chloride silicate with an open framework: verplanckite","Acta Crystallographica, Section B","1973","29","","2019","2021","10.1107/S0567740873005996","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007577","5.178","","9.514","","8.454","","90","","90.35","","90","","416.466","","","","","","","","","","","","Utalith Hill, Lucin, Utah, USA","4","P 1 21/n 1","-P 2yn","14","","","Metavariscite","- Al H4 O6 P -","- Al H4 O6 P -","- Al4 H16 O24 P4 -","4","1","","Kniep, R.; Mootz, D.","Metavariscite - A redetermination of its crystal structure","Acta Crystallographica, Section B","1973","29","","2292","2294","10.1107/S0567740873006503","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007578","7.723","","10.395","","6.716","","90","","90","","90","","539.164","","","","","","","","","","","","Daniel Mine, Wittichen, Baden, Germany","3","P 21 21 21","P 2ac 2ab","19","","","Wittichenite","- Bi Cu3 S3 -","- Bi Cu3 S3 -","- Bi4 Cu12 S12 -","4","1","","Kocman, V.; Nuffield, E. W.","The crystal structure of wittichenite, Cu3BiS3","Acta Crystallographica, Section B","1973","29","","2528","2535","10.1107/S0567740873006953","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007579","11.8568","","9.0152","","10.1938","","90","","116.365","","90","","976.29","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Getchellite","- As S3 Sb -","- As S3 Sb -","- As8 S24 Sb8 -","8","2","","Guillermo, T. R.; Wuensch, B. J.","The crystal structure of getchellite, AsSbS3","Acta Crystallographica, Section B","1973","29","","2536","2541","10.1107/S0567740873006965","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007580","7.4997","","7.4997","","7.5494","","90","","90","","90","","424.62","","","","","","","","","","","","Synthetic","4","I -4 2 d","I -4 2bw","122","","","Biphosphammite","- H6 N O4 P -","- H6 N O4 P -","- H24 N4 O16 P4 -","4","0.25","","Khan, A. A.; Baur, W. H.","Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADP","Acta Crystallographica, Section B","1973","29","","2721","2726","10.1107/S0567740873007442","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007581","7.6998","","7.6998","","7.7158","","90","","90","","90","","457.446","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- As H6 N O4 -","- As H6 N O4 -","- As4 H24 N4 O16 -","4","0.25","","Khan, A. A.; Baur, W. H.","Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADA","Acta Crystallographica, Section B","1973","29","","2721","2726","10.1107/S0567740873007442","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007582","7.434","","7.434","","6.945","","90","","90","","90","","383.811","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","1","","Baur, W. H.","Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite","Acta Crystallographica, Section B","1973","29","","2726","2731","10.1107/S0567740873007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007583","7.4997","","7.4997","","7.5493","","90","","90","","90","","424.614","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 N O4 P -","- H6 N O4 P -","- H24 N4 O16 P4 -","4","1","","Baur, W. H.","Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: polymorph of biphosphammite","Acta Crystallographica, Section B","1973","29","","2726","2731","10.1107/S0567740873007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007584","7.411","","7.439","","12.272","","90","","108.9","","90","","640.084","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H12 O16 S2 V2 -","- O16 S2 V2 -","- O32 S4 V4 -","2","0.5","","Theobald, F.; Galy, J.","Structure cristalline de VOSO4((H2O)3 Locality: synthetic Note: polymorph of bobjonesite","Acta Crystallographica, Section B","1973","29","","2732","2736","10.1107/S0567740873007466","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9007585","20.68","","8.411","","6.448","","90","","90","","90","","1121.56","","","","","","","","","","","","Synthetic","3","F d d 2","F 2 -2d","43","","","Blossite","- Cu2 O7 V2 -","- Cu2 O7 V2 -","- Cu16 O56 V16 -","8","0.5","","Mercurio-Lavaud D; Frit, B.","Structure cristalline de la variete basse temperature du pyrovanadate de cuivre: Cu2V2O7 alpha","Acta Crystallographica, Section B","1973","29","","2737","2741","10.1107/S0567740873007478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007586","9.124","","6.329","","7.577","","90","","115.28","","90","","395.637","","","","","","","","","","","","Tsumeb mine, Namibia, Africa","6","C 1 2/m 1","-C 2y","12","","","Tsumcorite","- As2 Fe H5 O10 Pb Zn -","- As2 Fe H3 O10 Pb Zn -","- As4 Fe2 H6 O20 Pb2 Zn2 -","2","0.25","","Tillmanns, E.; Gebert, W.","The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa Locality: Tsumeb mine, Namibia, Africa","Acta Crystallographica, Section B","1973","29","","2789","2794","10.1107/S0567740873007545","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9011135","6.949","","6.949","","6.227","","90","","90","","90","","300.693","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","","- As Lu O4 -","- As Lu O4 -","- As4 Lu4 O16 -","4","0.125","","Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.","Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with Chernovite-(Y)","Acta Crystallographica, Section B","1973","29","","141","142","10.1107/S0567740873002098","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011136","6.792","","6.792","","5.955","","90","","90","","90","","274.712","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","","- Lu O4 P -","- Lu O4 P -","- Lu4 O16 P4 -","4","0.125","","Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.","Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with xenotime-(Y)","Acta Crystallographica, Section B","1973","29","","141","142","10.1107/S0567740873002098","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011137","7.12","","7.12","","6.289","","90","","90","","90","","318.817","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","Wakefieldite-(Y)","- O4 V Y -","- O4 V Y -","- O16 V4 Y4 -","4","0.125","","Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C.","Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic","Acta Crystallographica, Section B","1973","29","","141","142","10.1107/S0567740873002098","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011138","10.459","","5.295","","10.382","","90","","90","","90","","574.959","","","","","","","","","","","","Synthetic","3","P n a m","-P 2c 2n","62","","","Cavoite","- Ca O7 V3 -","- Ca O7 V3 -","- Ca4 O28 V12 -","4","0.5","","Bouloux, J. C.; Galy, J.","Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7","Acta Crystallographica, Section B","1973","29","","269","275","10.1107/S0567740873002335","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011139","9.087","","9.087","","17.02","","90","","90","","120","","1217.11","","","","191","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","Gallium","- Ga -","- Ga -","- Ga66 -","66","1.83333","","Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A.","Structure cristalline de Ga-delta Loclity: synthetic Sample: at T = 191 K Note: structure known as the delta phase","Acta Crystallographica, Section B","1973","29","","367","368","10.1107/S0567740873002530","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011140","6.871","","9.322","","7.602","","90","","109.08","","90","","460.169","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Rajite","- Cu O5 Te2 -","- Cu O5 Te2 -","- Cu4 O20 Te8 -","4","1","","Hanke, K.; Kupcik, V.; Lindqvist, O.","The crystal structure of CuTe2O5","Acta Crystallographica, Section B","1973","29","","963","970","10.1107/S0567740873003699","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011141","10.161","","5.363","","7.862","","90","","90","","90","","428.427","","","","","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","","","Schmitterite","- O5 Te U -","- O5 Te U -","- O20 Te4 U4 -","4","1","","Meunier, G.; Galy, J.","Structure cristalline de la schmitterite synthetique UTeO5","Acta Crystallographica, Section B","1973","29","","1251","1255","10.1107/S0567740873004334","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011142","8.393","","6.0652","","16.156","","90","","108.09","","90","","781.772","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Stoiberite","- Cu5 O10 V2 -","- Cu5 O10 V2 -","- Cu20 O40 V8 -","4","1","","Shannon, R. D.; Calvo, C.","Crystal structure of Cu5V2O10","Acta Crystallographica, Section B","1973","29","","1338","1345","10.1107/S0567740873004474","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011143","8.73","","5.08","","15.64","","90","","128.4","","90","","543.577","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Chursinite","- As Hg3 O4 -","- As Hg3 O4 -","- As4 Hg12 O16 -","4","1","","Kamenar, B.; Kaitner, B.","The crystal structure of mercury(I) orthoarsenate","Acta Crystallographica, Section B","1973","29","","1666","1669","10.1107/S0567740873005224","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011144","7.023","","11.986","","9.473","","90","","90.9","","90","","797.317","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Ca4 O9 P2 -","- Ca4 O9 P2 -","- Ca16 O36 P8 -","4","2","","Dickens, B.; Brown, W. E.; Kruger, G. J.; Stewart, J. M.","Ca4(PO4)2O, tetracalcium diphosphate monooxide. Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2 Note: z(O11) corrected to match reported bond lengths","Acta Crystallographica, Section B","1973","29","","2046","2056","10.1107/S0567740873006102","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011145","10.585","","10.585","","5.383","","90","","90","","90","","603.123","","","","","","","","","","","","Synthetic","3","P -4 2 m","P -4 2","111","","","Mooihoekite","- Cu9 Fe9 S16 -","- Cu9 Fe9 S16 -","- Cu9 Fe9 S16 -","1","0.125","","Hall, S. R.; Rowland, J. F.","The crystal structure of synthetic mooihoekite, Cu9Fe9S16","Acta Crystallographica, Section B","1973","29","","2365","2372","10.1107/S0567740873006710","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011146","9.8438","","9.0439","","5.354","","90","","107.215","","90","","455.294","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Jervisite","- Na O6 Sc Si2 -","- Na O6 Sc Si2 -","- Na4 O24 Sc4 Si8 -","4","0.5","","Hawthorne, F. C.; Grundy, H. D.","Refinement of the crystal structure of NaScSi2O6","Acta Crystallographica, Section B","1973","29","","2615","2616","10.1107/S0567740873007156","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9014392","6.277","","9.157","","14.484","","90","","98.6","","90","","823.158","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Nitrocalcite","- Ca N2 O10 -","- Ca4 H32 N8 O40 -","- Ca4 H32 N8 O40 -","","","","Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B.","A new crystal structure study of Ca(NO3)2*(H2O)","Acta Crystallographica, Section B","1973","29","","1546","1548","10.1107/S0567740873004929","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017295","6.593","","6.364","","8.557","","97.77","","93.52","","110.56","","330.776","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Ghiaraite","- Ca Cl2 O4 -","- Ca2 Cl4 O8 -","- Ca2 Cl4 O8 -","","","","Thewalt, U.; Bugg, C. E.","Crystal structure of calcium chloride tetrahydrate","Acta Crystallographica, Section B","1973","29","","615","617","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:53",""
"9017296","7.411","","7.439","","12.272","","90","","108.9","","90","","640.084","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- H6 O8 S V -","- H6 O8 S V -","- H24 O32 S4 V4 -","4","1","","Theobald, F.; Galy, J.","Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite","Acta Crystallographica, Section B","1973","29","","2732","2736","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""