# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-04T10:23:01+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 (1,1948-23,1967)') AND volume = 18 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
"1000041","5.62","","5.62","","5.62","","90","","90","","90","","177.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Abrahams, S C; Bernstein, J L","Accuracy of an automatic diffractometer. measurement of the sodium chloride structure factors","Acta Crystallographica (1,1948-23,1967)","1965","18","","926","932","10.1107/S0365110X65002244","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008087","6.64","0.01","7.33","0.01","6.4","0.01","90","","92.67","0.08","90","","311.2","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Xenon(II) xenon(IV) fluoride","","- F6 Xe2 -","- F6 Xe2 -","- F12 Xe4 -","2","0.5","","Burns, J. H.; Ellison, R. D.; Levy, H. A.","The crystal structure of the molecular addition compound xenon difluoride - xenon tetrafluoride","Acta Crystallographica (1,1948-23,1967)","1965","18","1","11","16","10.1107/S0365110X65000038","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"2310069","6.55","","8.671","","17.511","","90","","90.3","","90","","994.524","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ag2 O (B2 O3)4","","- Ag2 B8 O13 -","- Ag2 B8 O13 -","- Ag8 B32 O52 -","4","1","","Krogh-Moe, J.","The crystal structure of silver tetraborate, Ag2 O (B2 O3)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","77","81","10.1107/S0365110X65000142","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310076","3.6009","","3.6009","","3.6009","","90","","90","","90","","46.691","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Gd -","- Au Gd -","- Au Gd -","1","0.0208333","","Gschneidner, K.A.jr.","Crystal structures of some equi-atomic gadolinium compounds","Acta Crystallographica (1,1948-23,1967)","1965","18","","1082","1083","10.1107/S0365110X6500258X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310145","15.6","","15.6","","3.828","","90","","90","","90","","931.582","","","","","","","","","","","","","3","I -4","I -4","82","","Phosphorus Niobium Oxide (1/9/25)","","- Nb9 O25 P -","- Nb9 O25 P -","- Nb18 O50 P2 -","2","0.25","","Roth, R. S.; Wadsley, A. D.; Andersson, S.","The crystal structure of PNb~9~O~25~, (P~2~O~5~ . 9Nb~2~O~5~)","Acta Crystallographica","1965","18","4","643","647","10.1107/s0365110x65001500","","","","","","","","","","","","","","","","","","","","","has coordinates","200781","2020-10-21","18:00:00",""
"2310183","3.464","","3.464","","3.464","","90","","90","","90","","41.566","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Sm -","- Rh Sm -","- Rh Sm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310184","3.417","","3.417","","3.417","","90","","90","","90","","39.897","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Tb -","- Rh Tb -","- Rh Tb -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310185","3.358","","3.358","","3.358","","90","","90","","90","","37.865","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Tm -","- Rh Tm -","- Rh Tm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310186","3.383","","3.383","","3.383","","90","","90","","90","","38.717","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Ir -","- Ho Ir -","- Ho Ir -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh,Ir,Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310187","3.353","","3.353","","3.353","","90","","90","","90","","37.696","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir Tm -","- Ir Tm -","- Ir Tm -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310203","3.893","","3.893","","3.893","","90","","90","","90","","59","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Pd0.5 Ru0.5)3 Ta","","- Pd1.5 Ru1.5 Ta -","- Pd1.5 Ru1.5 Ta -","- Pd1.5 Ru1.5 Ta -","1","0.0208333","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310204","5.517","","5.517","","20.26","","90","","90","","120","","534.043","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Pd0.72 Rh0.28)3 Ta","","- Pd2.16 Rh0.84 Ta -","- Pd2.16 Rh0.84 Ta -","- Pd19.44 Rh7.56 Ta9 -","9","0.25","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310205","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Pd0.67 Rh0.33)3 Ta","","- Pd2.01 Rh0.99 Ta -","- Pd2.01 Rh0.99 Ta -","- Pd20.1 Rh9.9 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310206","5.791","","6.756","","2.796","","90","","90","","90","","109.391","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ir V -","- Ir V -","- Ir4 V4 -","4","0.25","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310223","6.178","","6.178","","28.031","","90","","90","","120","","926.542","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ga3 Pu -","- Ga3 Pu -","- Ga36 Pu12 -","12","0.333333","","Larson, A.C.; Roof, R.B.jr.; Cromer, D.T.","The crystal structure of the high-temperature form of Pu Ga3","Acta Crystallographica (1,1948-23,1967)","1965","18","","294","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310240","6.837","","6.837","","6.837","","90","","90","","90","","319.593","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li Mg2 Tl -","- Li Mg2 Tl -","- Li4 Mg8 Tl4 -","4","0.0208333","","Ramsey, W.J.","Li Mg2 Tl: preparation and structure","Acta Crystallographica (1,1948-23,1967)","1965","18","","817","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310247","4.114","","7.14","","5.501","","90","","90","","90.05","","161.586","","","","","","","","","","","","","2","P 1 1 21/b","-P 2bc","14","","","","- Ni Y -","- Ni Y -","- Ni4 Y4 -","4","1","","Smith, J.F.; Hansen, D.A.","The structure of Y Ni","Acta Crystallographica (1,1948-23,1967)","1965","18","","60","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310260","10.511","","10.511","","28.362","","90","","90","","120","","2713.66","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg4 Sr -","- Mg4 Sr -","- Mg72 Sr18 -","18","0.75","","Wang, F.E.; King, A.J.; Kanda, F.A.; Miskell, C.F.","The crystal structures of Sr6 Mg23, Sr Mg4, Ba6 Mg23 and Ba Li4","Acta Crystallographica (1,1948-23,1967)","1965","18","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310261","14.914","","14.914","","14.914","","90","","90","","90","","3317.28","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg23 Sr6 -","- Mg23 Sr6 -","- Mg92 Sr24 -","4","0.0208333","","Wang, F.E.; Kanda, F.A.; Miskell, C.F.; King, A.J.","The crystal structures of Sr6 Mg23, Sr Mg4, Ba6 Mg23 and Ba Li4","Acta Crystallographica (1,1948-23,1967)","1965","18","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310283","5.1245","","5.1245","","4.1125","","90","","90","","120","","93.528","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co3 Mo -","- Co3 Mo -","- Co6 Mo2 -","2","0.0833333","","D'Alte da Veiga, L.M.","Refinement of the structure of the phase Co3 Mo","Acta Crystallographica (1,1948-23,1967)","1965","18","","855","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310285","3.372","","3.372","","3.372","","90","","90","","90","","38.341","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Rh -","- Er Rh -","- Er Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","837","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310294","3.502","","3.502","","3.502","","90","","90","","90","","42.949","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cu Gd -","- Cu Gd -","- Cu Gd -","1","0.0208333","","Gschneidner, K.A.jr.","Crystal structures of some equi-atomic gadolinium compounds","Acta Crystallographica (1,1948-23,1967)","1965","18","","1082","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310402","11.62","","5.49","","8.44","","90","","97.7","","90","","533.565","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na5 Zr2 F13","","- F13 Na5 Zr2 -","- F13 Na5 Zr2 -","- F26 Na10 Zr4 -","2","0.25","","Herak, R.M.; Malcic, S.S.; Manojlovic, L.M.","The Crystal Structure of Sodium Tridecafluorodizirconate","Acta Crystallographica (1,1948-23,1967)","1965","18","","520","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","149114","2020-10-21","18:00:00",""
"2310455","23.665","","23.665","","9.253","","90","","90","","120","","4487.73","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Cl (N H3)5.143","","- Cl H15.429 N5.143 Na -","- Cl H15.4286 N5.14286 Na -","- Cl21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310456","24.343","","24.343","","9.462","","90","","90","","120","","4855.81","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Br (N H3)5.143","","- Br H15.429 N5.143 Na -","- Br H15.4286 N5.14286 Na -","- Br21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310520","4.021","","4.021","","10.493","","90","","90","","90","","169.655","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Th Mn2 Si2","","- Mn2 Si2 Th -","- Mn2 Si2 Th -","- Mn4 Si4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310521","4.076","","4.076","","9.551","","90","","90","","90","","158.678","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Th Ni2 Si2","","- Ni2 Si2 Th -","- Ni2 Si2 Th -","- Ni4 Si4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310522","4.038","","4.038","","9.82","","90","","90","","90","","160.119","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Th Fe2 Si2","","- Fe2 Th -","- Fe2 Th -","- Fe4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310523","4.015","","4.015","","9.76","","90","","90","","90","","157.333","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Th Co2 Si2","","- Co2 Th -","- Co2 Th -","- Co4 Th2 -","2","0.0625","","Ban, Z.; Sikirica, M.","The crystal structure of ternary silicides Th M2 Si2 (M=Cr,Mn,Fe,Co,Ni,Cu)","Acta Crystallographica (1,1948-23,1967)","1965","18","","594","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310529","5.473","","6.372","","3.416","","90","","90","","90","","119.129","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag N C O","","- C Ag N O -","- C Ag N O -","- C2 Ag2 N2 O2 -","2","0.5","","Britton, D.; Dunitz, J.D.","The Crystal Structure of Silver cyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","424","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310532","3.43","","3.43","","12.71","","90","","90","","120","","129.498","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se4 Ta2 -","2","0.0833333","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310533","3.45","","3.45","","18.88","","90","","90","","120","","194.613","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Nb Se2 -","- Nb Se2 -","- Nb3 Se6 -","3","0.166667","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310534","3.44","","3.44","","25.24","","90","","90","","120","","258.665","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- Nb Se2 -","- Nb Se2 -","- Nb4 Se8 -","4","0.333333","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytypism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310535","3.46","","3.46","","25.18","","90","","90","","120","","261.059","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se8 Ta4 -","4","0.166667","","Brown, B.E.; Beerntsen, D.J.","Layer structure polytism among niobium and tantalum selenides","Acta Crystallographica (1,1948-23,1967)","1965","18","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310541","3.63","","3.63","","6.094","","90","","90","","90","","80.3","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","Pu C2","","- Pu -","- Pu -","- Pu2 -","2","0.0625","","Chackraburtty, D.M.; Jayadevan, N.C.","Crystal chemistry of higher carbides of plutonium","Acta Crystallographica (1,1948-23,1967)","1965","18","","811","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310543","4.991","","4.991","","16.9719","","90","","90","","120","","366.131","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ca (C O3)","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Chessin, H.; Post, B.; Hamilton, W.C.","Position and termal parameters of oxygen atoms in calcite","Acta Crystallographica (1,1948-23,1967)","1965","18","","689","693","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310560","6.934","","6.934","","10.72","","90","","90","","90","","515.421","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","Sr3 (Si O4) O","","- O5 Si Sr3 -","- O5 Si Sr3 -","- O20 Si4 Sr12 -","4","0.25","","Dent Glasser, L.S.; Glasser, F.P.","Silicates M3 Si O5. I. Sr3 Si O5","Acta Crystallographica (1,1948-23,1967)","1965","18","","453","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310562","8.14","","11.43","","11.39","","90","","90","","90","","1059.73","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- P4 S6.78 -","- P4 S6.78 -","- P16 S27.12 -","4","0.5","","Dixon, D.T.; Einstein, F.W.B.; Penfold, B.R.","The molecular and crystal structure of sulfur-deficient tetraphosphorus heptasulfide (P4 S7 - beta)","Acta Crystallographica (1,1948-23,1967)","1965","18","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310565","8.74","","8.87","","6.14","","90","","90","","90","","475.996","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","I F7","","- F7 I -","- F7 I -","- F28 I4 -","4","","","Donohue, J.","Concerning the evidence for the molecular symmetry of I F7","Acta Crystallographica (1,1948-23,1967)","1965","18","","1018","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310569","8.67","","6.7","","4.75","","90","","96.4","","90","","274.203","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Co S O4","","- Co O4 S -","- Co O4 S -","- Co2 O8 S2 -","2","0.5","","Dunitz, J.D.","Polymorphism in anhydrous cobalt sulphate","Acta Crystallographica (1,1948-23,1967)","1965","18","","737","740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310575","7.141","","14.756","","4.214","","90","","105.5","","90","","427.891","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Zn (N2 H4)2) (N C S)2","","- C2 H8 N6 S2 Zn -","- C2 H8 N6 S2 Zn -","- C4 H16 N12 S4 Zn2 -","2","0.5","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The crystal structure of bis(hydrazine)zinc isothiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310579","9.357","","3.3823","","7.792","","90","","119.46","","90","","214.717","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Nb As2","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","1","","Furuseth, S.; Kjekshus, A.","The crystal structures of Nb As2 and Nb Sb2","Acta Crystallographica (1,1948-23,1967)","1965","18","","320","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310580","10.239","","3.6319","","8.333","","90","","120.07","","90","","268.174","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Nb Sb2 -","- Nb Sb2 -","- Nb4 Sb8 -","4","0.5","","Furuseth, S.; Kjekshus, A.","The crystal structures of Nb As2 and Nb Sb2","Acta Crystallographica (1,1948-23,1967)","1965","18","","320","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310588","3.082","","3.082","","60.49","","90","","90","","120","","497.599","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C24 Si24 -","24","1.33333","","Gomes de Mesquita, A.H.","The structure of a silicone carbide polytype 24R","Acta Crystallographica (1,1948-23,1967)","1965","18","","128","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310604","11.5","","11.25","","9.65","","90","","90","","90","","1248.47","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","K H (Si O3)","","- H K O3 Si -","- K O3 Si -","- K16 O48 Si16 -","16","","","Hilmer, W.","Die Kristallstruktur des sauren Kaliummetasilicates K4 (H Si O3)4. Korrektur.","Acta Crystallographica (1,1948-23,1967)","1965","18","","574","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310622","7.418","","11.702","","14.745","","90","","90","","90","","1279.95","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 O (B2 O3)5","","- B10 K2 O16 -","- B10 K2 O16 -","- B40 K8 O64 -","4","0.5","","Krogh-Moe, J.","Least-squares refinement of the crystal structure of potassium pentaborate","Acta Crystallographica (1,1948-23,1967)","1965","18","","1088","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","151162","2020-10-21","18:00:00",""
"2310625","10.62","","18.42998","","5.02","","90","","90","","90","","982.546","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn3 (P O4)2 (H2 O)4","","- H8 O12 P2 Zn3 -","- O12 P2 Zn3 -","- O48 P8 Zn12 -","4","0.5","","Liebau, F.","Zur Kristallstuktur des Hopeits, Zn3 (P O4)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","352","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","151263","2020-10-21","18:00:00",""
"2310634","9.636","","9.636","","5.28","","90","","90","","90","","490.261","","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","(Se O3)4","","- O12 Se4 -","- O12 Se4 -","- O24 Se8 -","2","0.25","","Mijlhoff, F.C.","The crystal structure of tetragonal selenium trioxide","Acta Crystallographica (1,1948-23,1967)","1965","18","","795","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","214434","2020-10-21","18:00:00",""
"2310640","12.66","","3.7921","","6.6147","","90","","107.9","","90","","302.187","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Ga Nb O4 -","- Ga Nb O4 -","- Ga4 Nb4 O16 -","4","1","","Morosin, B.; Rosenzweig, A.","The crystal structure of Ga Nb O4","Acta Crystallographica (1,1948-23,1967)","1965","18","","874","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310645","7.928","","13.214","","7.708","","90","","90","","90","","807.495","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Na3 P3 O9","","- Na3 O9 P3 -","- Na3 O9 P3 -","- Na12 O36 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310646","8.5","","13.189","","7.558","","90","","90","","90","","847.301","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na3 P3 O9 (H2 O)","","- H2 Na3 O10 P3 -","- H2 Na3 O10 P3 -","- H8 Na12 O40 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2310657","29.78","","3.821","","21.12","","90","","94.9","","90","","2394.45","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ti Nb24 O62","","- Nb24 O62 Ti -","- Nb24 O62 Ti -","- Nb48 O124 Ti2 -","2","0.5","","Roth, R.S.; Wadsley, A.D.","Mixed oxides of titanium and niobium: the crystal structure of Ti Nb24 O62 (Ti O2.12 Nb2 O5)","Acta Crystallographica (1,1948-23,1967)","1965","18","","724","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310660","9.08","","8.75","","13.61","","90","","97","","90","","1073.26","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg Th (N O3)6 (H2 O)8","","- H16 Mg N6 O26 Th -","- H16 Mg N6 O26 Th -","- H32 Mg2 N12 O52 Th2 -","2","0.5","","Scavnicar, S.; Prodic, B.","The crystal structure of double nitrate octahydrates of thorium and bivalent metals","Acta Crystallographica (1,1948-23,1967)","1965","18","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","189368","2020-10-21","18:00:00",""
"2310661","7.38","","33.6","","7.16","","90","","90","","90","","1775.45","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Sr (V O3)2 (H2 O)4","","- H8 O10 Sr V2 -","- O10 Sr V2 -","- O40 Sr4 V8 -","4","0.5","","Sedlacek, P.; Dornberger-Schiff, K.","Das Strukturprinzip des Strontiumvanadat, Sr (V O3)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","407","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310665","6.1484","","7.0173","","3.6698","","90","","90","","90","","158.334","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ti Ni Si","","- Ni Si Ti -","- Ni Si Ti -","- Ni4 Si4 Ti4 -","4","0.5","","Shoemaker, C.B.; Shoemaker, D.P.","A ternary alloy with Pb Cl2 - type structure: Ti Ni Si(e)","Acta Crystallographica (1,1948-23,1967)","1965","18","","900","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310674","4.75","","4.75","","2.47","","90","","90","","90","","55.729","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Be O -","- Be O -","- Be4 O4 -","4","0.25","","Smith, D.K.jr.; Cline, C.F.","The crystal structure of beta - beryllia","Acta Crystallographica (1,1948-23,1967)","1965","18","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310675","5.091","","11.371","","6.782","","90","","90","","90","","392.608","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ca2 (Si O4)","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca8 O16 Si4 -","4","0.5","","Smith, D.K.jr.; Ordway, F.; Majumdar, A.","The structure of gamma dicalcium silicate","Acta Crystallographica (1,1948-23,1967)","1965","18","","787","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310682","12.54","","12.54","","4.01","","90","","90","","90","","630.579","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Ba6 Ti2 Nb8 O30","","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","- Ba6 Nb8 O30 Ti2 -","1","0.125","","Stephenson, N.C.","The crystal structure of the tetragonal bronze Ba6 Ti2 Nb8 O30","Acta Crystallographica (1,1948-23,1967)","1965","18","","496","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","151691","2020-10-21","18:00:00",""
"2310689","13.22","","10.58","","7.88","","90","","90","","90","","1102.16","","","","","","","","","","","","","6","P n n m","-P 2 2n","58","","(N H3)5 Co O2 Co (N H3)5 (S C N)4","","- C4 H30 Co2 N14 O2 S4 -","- C4 Co2 N14 O2 S4 -","- C8 Co4 N28 O4 S8 -","2","0.25","","Vannerberg, N.I.","The Crystal Structure of Decammine-mue-peroxodicobalt(III) Tetrathiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","151818","2020-10-21","18:00:00",""
"2310693","6.97","","6.97","","17.27","","90","","90","","120","","726.589","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","K Al3 (S O4)2 (O H)6","","- Al3 H6 K O14 S2 -","- Al3 H6 K O14 S2 -","- Al9 H18 K3 O42 S6 -","3","0.0833333","","Wang, R.; Bradley, W.F.; Steinfink, H.","The crystal structure of Alunite","Acta Crystallographica (1,1948-23,1967)","1965","18","","249","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310696","5.08","","5.08","","18.59","","90","","90","","90","","479.741","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Zn P2","","- P2 Zn -","- P2 Zn -","- P16 Zn8 -","8","1","","White, J.G.","The crystal structure of the tetragonal modification of Zn P2","Acta Crystallographica (1,1948-23,1967)","1965","18","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310892","3.204","","3.204","","3.204","","90","","90","","90","","32.891","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Sc -","- Rh Sc -","- Rh Sc -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310893","3.407","","3.407","","3.407","","90","","90","","90","","39.547","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh Y -","- Rh Y -","- Rh Y -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310894","3.388","","3.388","","3.388","","90","","90","","90","","38.889","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Rh -","- Ho Rh -","- Ho Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310895","3.332","","3.332","","3.332","","90","","90","","90","","36.993","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir Lu -","- Ir Lu -","- Ir Lu -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310896","3.332","","3.332","","3.332","","90","","90","","90","","36.993","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Rh -","- Lu Rh -","- Lu Rh -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.; Downey, J.W.","Equiatomic compounds of the transition and lanthanide elements with Rh, Ir, Ni and Pt","Acta Crystallographica (1,1948-23,1967)","1965","18","","835","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310907","5.52","","5.52","","22.43","","90","","90","","120","","591.886","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 Ta -","- Pd3 Ta -","- Pd30 Ta10 -","10","0.416667","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310908","3.887","","3.887","","3.651","","90","","90","","90","","55.162","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ir V -","- Ir V -","- Ir2 V2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","New intermediate phases in transition metal systems. II.","Acta Crystallographica (1,1948-23,1967)","1965","18","","1080","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310946","5.656","","9.199","","16.843","","90","","90","","90","","876.334","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Nb6 Sn5 -","- Nb6 Sn4.92 -","- Nb24 Sn19.68 -","4","0.25","","Ogren, J.R.; Ellis, T.G.; Smith, J.F.","The structure of Nb6 Sn5","Acta Crystallographica (1,1948-23,1967)","1965","18","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310958","8.017","","10.309","","3.735","","90","","90","","90","","308.687","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(N H4)2 (C2 O4) (H2 O)","","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Robertson, J.H.","Ammonium oxalate monohydrate: structure refinement at 30 K","Acta Crystallographica (1,1948-23,1967)","1965","18","","410","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","167771","2020-10-21","18:00:00",""
"2310998","12.3","","12.3","","7.34","","90","","90","","90","","1110.47","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ca (C O2)2 (H2 O)2.2","","- C2 H4.4 Ca O6.2 -","- C2 Ca O6.2 -","- C16 Ca8 O49.6 -","8","0.5","","Sterling, C.","Crystal structure analysis of weddellite, Ca C2 O4 * (2+x)H2 O","Acta Crystallographica (1,1948-23,1967)","1965","18","","917","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311014","4.56","","4.56","","10.81","","90","","90","","90","","224.779","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ba Ga4 -","- Ba Ga4 -","- Ba2 Ga8 -","2","0.0625","","Bruzzone, G.","M X4-compounds of alkaline earth metals with IIB group elements","Acta Crystallographica (1,1948-23,1967)","1965","18","","1081","1082","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"5000010","13.991","","14.786","","5.116","","90","","90","","90","","1058.35","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","A04520","S. Furberg,; C. S. Peterson; C. Rømming","A refinement of the crystal structure of cytidine","Acta Crystallographica","1965","18","","313","320","10.1107/S0365110X65000749","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9007485","5.145","","5.2075","","5.3107","","90","","99.23","","90","","140.445","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Smith, D. K.; Newkirk, H. W.","The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2","Acta Crystallographica","1965","18","","983","991","10.1107/S0365110X65002402","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011059","5.13","","10.82","","12.4","","90","","90","","90","","688.282","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","Pascard, R.; Pascard-Billy C","Structure precise de l'anhydride sulfurique","Acta Crystallographica","1965","18","","830","834","10.1107/S0365110X65002049","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9015159","7.24","","6.46","","12.38","","90","","99.5","","90","","571.077","","","","","","","","","","","","Majuba Hill, Nevada, USA","4","P 1 21/c 1","-P 2ybc","14","","","Clinoclase","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","- As4 Cu12 H12 O28 -","4","1","","Ghose, S.; Fehlmann, M.; Sundaralingam, M.","The crystal structure of clinoclase, Cu3AsO4(OH)3","Acta Crystallographica","1965","18","","777","787","10.1107/S0365110X65001779","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""