# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T18:02:46+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica') AND volume = 15 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
"1008111","9.2","","5.82","","7.45","","90","","90","","90","","398.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium chlorate(VII)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","0.5","","Smith, H G; Levy, H A","Neutron Diffraction Study of Ammonium Perchlorate","Acta Crystallographica (1,1948-23,1967)","1962","15","","1201","1206","10.1107/S0365110X62003205","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008918","6.76","0.02","6.76","0.02","6.76","0.02","90","","90","","90","","308.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Hydrazine hydrate","","- H6 N2 O -","- H7.008 N2.004 O -","- H28.032 N8.016 O4 -","4","0.0208333","","Zocchi, M.; Busing, W. R.; Ellison, R. D.; Levy, H. A.","An X-ray study of hydrazine hydrate, N2 H4 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1962","15","8","803","803","10.1107/S0365110X62002066","","","","","","0.22","","","","","","","","","","","","","","","has coordinates","188477","2020-10-21","18:00:00",""
"1100072","9.32","0.01","14.36","0.04","6.87","0.01","90","","90","","90","","919.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Nardelli, M; Fava, G; Giraldi, G","The Crystal Structure of Magnesium Thiosulphate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1962","15","","227","231","10.1107/S0365110X62000560","","","","","","0.116","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100097","5.922","0.006","13.604","0.004","7.905","0.005","90","","90.85","0.17","90","","636.8","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate(VI) tetrahydrate","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit)","Acta Crystallographica","1962","15","9","815","826","10.1107/S0365110X62002200","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"2310010","5.103","","5.343","","6.901","","104.76","","100.42","","100.08","","174.045","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 F N O -","- C2 H4 F N O -","- C4 H8 F2 N2 O2 -","2","1","","D. O. Hughes; R. W. H. Small","The Crystal and Molecular Structure of Monofluoroacetamide","Acta Crystallographica","1962","15","","933","940","10.1107/S0365110X62002480","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310090","2.9","","2.9","","7.478","","90","","90","","120","","54.464","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Re B2","","- B2 Re -","- B2 Re -","- B4 Re2 -","2","0.0833333","","Post, B.; la Placa, S.J.","The crystal structure of rhenium diboride","Acta Crystallographica (1,1948-23,1967)","1962","15","","97","99","10.1107/S0365110X62000298","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310128","6.075","","6.075","","6.075","","102.93","","102.93","","102.93","","203.936","","","","","","","","","","","","","4","R 3 2 :R","P 3* 2","155","","Trimagnesium Calcium Carbonate","Huntite","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","1","0.166667","","Graf, D.L.; Bradley, W.F.","The crystal structure of huntite, Mg3 Ca (C O3)4","Acta Crystallographica","1962","15","","238","242","10.1107/S0365110X62000584","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310171","13.483","","7.6626","","5.134","","90","","127.78","","90","","419.226","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Mn Zn13 -","- Mn Zn13 -","- Mn2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal- zinc alloy systems","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310172","13.424","","7.608","","5.061","","90","","127.3","","90","","411.163","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe Zn13 -","- Fe Zn13 -","- Fe2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal-zinc alloy systems","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310219","3.268","","9.937","","4.101","","90","","90","","90","","133.176","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ni Zr -","- Ni Zr -","- Ni4 Zr4 -","4","0.25","","Kirkpatrick, M.E.; Bailey, D.M.; Smith, J.F.","The structures of Ni Zr2, Ni Zr and their hafnium analogs","Acta Crystallographica (1,1948-23,1967)","1962","15","","252","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310220","6.477","","6.477","","5.241","","90","","90","","90","","219.868","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ni Zr2 -","- Ni Zr2 -","- Ni4 Zr8 -","4","0.125","","Kirkpatrick, M.E.; Smith, J.F.; Bailey, D.M.","The structures of Ni Zr2, Ni Zr and their hafnium analogs","Acta Crystallographica (1,1948-23,1967)","1962","15","","252","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310221","9.211","","9.156","","12.386","","90","","90","","90","","1044.58","","","","","","","","","","","","","2","A b a 2","A 2 -2ab","41","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310222","12.497","","9.21","","9.325","","90","","90","","90","","1073.28","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","0.5","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310277","13.306","","7.535","","4.992","","90","","126.78","","90","","400.872","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co Zn13 -","- Co Zn13 -","- Co2 Zn26 -","2","0.25","","Brown, P.J.","The structure of the zeta-phase in the transition metal-zinc alloy system","Acta Crystallographica (1,1948-23,1967)","1962","15","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310288","4.762","","4.762","","25.615","","90","","90","","120","","503.041","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co7 Mo6 -","- Co7 Mo6 -","- Co21 Mo18 -","3","0.0833333","","Forsyth, J.B.; D'Alte da Veiga, L.M.","The structure of the mue-phase Co7 Mo6","Acta Crystallographica (1,1948-23,1967)","1962","15","","543","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310302","9.587","","9.587","","21.825","","90","","90","","120","","1737.2","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ce24 Co11 -","- Ce24 Co11 -","- Ce48 Co22 -","2","0.166667","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce24 Co11","Acta Crystallographica (1,1948-23,1967)","1962","15","","1224","1227","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310342","13.46","","4.92","","13.86","","90","","109.5","","90","","865.207","","","","","","","","","","","","","1","C 1 2/c 1","-C 2yc","15","","Sn F2","","- Sn -","- Sn -","- Sn16 -","16","2","","Bergerhoff, G.","Zur Kristallstruktur des Zinn-II-fluorides","Acta Crystallographica (1,1948-23,1967)","1962","15","5","509","509","10.1107/S0365110X62001255","","","","","","","","","","","","","","","","","","","","","has coordinates","279512","2022-11-23","14:59:13",""
"2310365","6.421","","6.421","","5.183","","90","","90","","120","","185.062","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Sc3 In","","- In Sc3 -","- In Sc3 -","- In2 Sc6 -","2","0.0833333","","Compton, V.B.; Matthias, B.T.","The crystal structure of Sc3 In","Acta Crystallographica (1,1948-23,1967)","1962","15","","94","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310585","10.8","","6.71","","4.79","","90","","90","","90","","347.122","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (I O3) (O H)","","- Cu H I O4 -","- Cu I O4 -","- Cu4 I4 O16 -","4","0.5","","Ghose, S.","The crystal structure of salesite, Cu I O3 (O H)","Acta Crystallographica (1,1948-23,1967)","1962","15","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310889","4.546","","4.546","","11.862","","90","","90","","120","","212.299","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Cucka, P.; Barrett, C.S.","The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi","Acta Crystallographica (1,1948-23,1967)","1962","15","","865","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311037","11.79","","4.1","","14.59","","90","","90","","90","","705.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi2 Pb S4 -","- Bi2 Pb S4 -","- Bi8 Pb4 S16 -","4","0.5","","Iitaka, Y.; Nowacki, W.","A redetermination of the crystal structure of galenobismutite, Pb Bi2 S4","Acta Crystallographica (1,1948-23,1967)","1962","15","","691","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"5000136","29.11","","4.93","","12.09","","90","","93.63","","90","","1731.58","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pentachlorophenol","","","- C6 H Cl5 O -","- C6 H Cl5 O -","- C48 H8 Cl40 O8 -","8","1","","Sakurai, T.","A nuclear quadrupole resonance and X-ray study of the crystal structure of pentachlorophenol","Acta Crystallographica","1962","15","11","1164","1173","10.1107/S0365110X62003047","","","","","","","","","","","","","","","","","","","","","has coordinates","187372","2020-10-21","18:00:00",""
"5000203","8.01","","6.82","","10.14","","90","","111.45","","90","","515.56","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C4 H8 O2 -","- C4 O2 -","- C16 O8 -","4","0.5","","Strieter, F. J.; Templeton, D. H.","Crystal structure of butyric acid","Acta Crystallographica","1962","15","12","1240","1244","10.1107/S0365110X6200328X","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000204","4.04","","9.06","","11","","90","","91.25","","90","","402.53","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","1","","Strieter, F. J.; Templeton, D. H.; Scheuerman, R. F.; Sass, R. L.","The crystal structure of propionic acid","Acta Crystallographica","1962","15","12","1233","1239","10.1107/S0365110X62003278","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000215","4.535","0.002","4.535","0.002","11.814","0.006","90","","90","","120","","210.4","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Cucka, P.; Barrett, C. S.","The Crystal Structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi","Acta Crystallographica","1962","15","9","865","872","10.1107/S0365110X62002297","","","","","","0.0278","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9007470","9.965","","14.252","","14.252","","90","","90","","90","","2024.09","","","","","","","","","","","","pelagic sediments of the Pacific Ocean","6","B 2 m b","B -2b 2","40","","","Phillipsite-Na","- Al2.48 H20 K0.5 Na2 O21 Si5.52 -","- Al2.48 H10 K0.5 Na2 O21 Si5.52 -","- Al9.92 H40 K2 Na8 O84 Si22.08 -","4","0.5","","Steinfink, H.","The crystal structure of the zeolite, phillipsite","Acta Crystallographica","1962","15","","644","651","10.1107/S0365110X62001802","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007471","8.035","","5.805","","7.346","","90","","105.63","","90","","329.97","","","","","","","","","","","","Mautia Hill, Tanzania","7","P 1 21/m 1","-P 2yb","11","","","Yoderite","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 -","- Al5.28 Ca0.24 Fe0.48 H2 Mg2 O20 Si4 -","2","0.5","","Fleet, S. G.; Megaw, H. D.","The crystal structure of yoderite","Acta Crystallographica","1962","15","","721","728","10.1107/S0365110X62001930","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007473","5.979","","13.648","","7.977","","90","","90.43","","90","","650.916","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Rozenite","- Fe2 H16 O16 S2 -","- Fe2 H16 O16 S2 -","- Fe4 H32 O32 S4 -","2","0.5","","Baur, W. H.","Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit) Locality: synthetic","Acta Crystallographica","1962","15","9","815","826","10.1107/S0365110X62002200","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9011048","3.51","","9.71","","8.05","","90","","111.85","","90","","254.651","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Nahcolite","- C H Na O3 -","- C H Na O3 -","- C4 H4 Na4 O12 -","4","1","","Sass, R. L.; Scheuerman, R. F.","The crystal structure of sodium bicarbonate","Acta Crystallographica","1962","15","","77","81","10.1107/S0365110X62000158","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011049","9.47","","9.47","","10.26","","90","","90","","90","","920.126","","","","","","","","","","","","Synthetic","3","I 41 c d","I 4bw -2c","110","","","Diomignite","- B4 Li2 O7 -","- B4 Li2 O7 -","- B32 Li16 O56 -","8","0.5","","Krogh-Moe J","The crystal structure of lithium diborate, Li2O*2B2O3","Acta Crystallographica","1962","15","","190","193","10.1107/S0365110X6200050X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011050","5.65754","","5.65754","","5.65754","","90","","90","","90","","181.085","","","","297.75","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","","","Germanium","- Ge -","- Ge -","- Ge8 -","8","0.0416667","","Cooper, A. S.","Precise lattice constants of germanium, aluminum, gallium arsenide, uranium, sulphur, quartz and sapphire Sample: at T = 24.6 C","Acta Crystallographica","1962","15","","578","582","10.1107/S0365110X62001474","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011051","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0416667","","Geller, S.","The crystal structure of Pd17Se15 Sample: Pm3m refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011052","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P -4 3 m","P -4 2 3","215","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0833333","","Geller, S.","The crystal structure of Pd17Se15 Sample: P-43m refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011053","10.606","","10.606","","10.606","","90","","90","","90","","1193.04","","","","","","","","","","","","Synthetic","2","P 4 3 2","P 4 2 3","207","","","Palladseite","- Pd17 Se15 -","- Pd17 Se15 -","- Pd34 Se30 -","2","0.0833333","","Geller, S.","The crystal structure of Pd17Se15 Sample: P432 refinement","Acta Crystallographica","1962","15","","713","721","10.1107/S0365110X62001929","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9015571","5.31","","5.31","","42.1","","90","","90","","120","","1028.02","","","","","","","","","","","","Saranovskaye, USSR","5","R 3 :H","R 3","146","","","Amesite","- Al2 H4 Mg2 O9 Si -","- Al2.0005 Mg1.9995 O9 Si -","- Al12.003 Mg11.997 O54 Si6 -","6","0.666667","","Steadman, R.; Nuttall, P. M.","The crystal structure of amesite Note: polytype 6R","Acta Crystallographica","1962","15","","510","511","10.1107/S0365110X62001267","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""