# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-10T21:49:37+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 'Powder Diffraction') AND volume = 14 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
"1520794","9.8799","","10.2801","","9.8764","","90","","90.113","","90","","1003.11","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca2.89 (Al5.84 Si10.16 O32) (H2 O)16.32","","- Al5.84 Ca2.89 H32.64 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","1","0.125","","Artioli, G.; Marchi, M.","On the space group of garronite","Powder Diffraction","1999","14","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521062","24.47559","","6.7516","","5.4572","","90","","90","","90","","901.799","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H.","Rietveld refinement of the crystal structure of gamma-(Mo4 O11)","Powder Diffraction","1999","14","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521294","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Cu3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Cu3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141026","2020-10-21","18:00:00",""
"1521295","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Mn3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Mn3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141027","2020-10-21","18:00:00",""
"1521296","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K Mn (Fe (C N)6) (H2 O)","","- C6 H2 Fe K Mn N6 O -","- C6 Fe K Mn N6 O -","- C24 Fe4 K4 Mn4 N24 O4 -","4","1","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521313","9.1878","","9.1878","","9.1878","","68.458","","68.458","","68.458","","646.373","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 Ti10.26 Ga9.63 O38","","- Ga9.63 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","1","0.166667","","Meden, A.; Skapin, S.; Kolar, D.","Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38","Powder Diffraction","1999","14","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521766","3.3505","","3.3505","","57.863","","90","","90","","120","","562.537","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(In0.58 Y0.42) (Zn0.83 In0.17)6 O8","","- In1.6 O8 Y0.42 Zn4.98 -","- In1.6 O8 Y0.42 Zn4.98 -","- In4.8 O24 Y1.26 Zn14.94 -","3","0.0833333","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (Zn O)5In2 O3","Powder Diffraction","1999","14","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","141980","2020-10-21","18:00:00",""
"1521831","11.588","","4.579","","5.059","","90","","97.746","","90","","265.988","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Fe5 C2","","- C2 Fe5 -","- C2 Fe5 -","- C8 Fe20 -","4","0.5","","Retief, J.J.","Powder diffraction data and Rietveld refinement of Haegg-carbide, chi-(Fe5 C2)","Powder Diffraction","1999","14","","130","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","142047","2020-10-21","18:00:00",""
"1522193","9.7477","","9.7477","","11.8791","","90","","90","","120","","977.504","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sr4 Pt O6","","- O6 Pt Sr4 -","- O6 Pt Sr4 -","- O36 Pt6 Sr24 -","6","0.166667","","Wong-Ng, W.; Young, R.A.; Kaduk, J.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522195","9.724","","9.724","","11.5214","","90","","90","","120","","943.465","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr3.15 Ca0.85) Pt O6","","- Ca0.85 O6 Pt Sr3.15 -","- Ca0.85 O6 Pt Sr3.15 -","- Ca5.1 O36 Pt6 Sr18.9 -","6","0.166667","","Wong-Ng, W.; Swartzendruber, L.J.; Kaduk, J.A.; Brown, H.J.; Young, R.A.; Jiang, F.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522197","9.6153","","9.6153","","11.4284","","90","","90","","120","","915.044","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr2.145 Ca1.855) Pt O6","","- Ca1.855 O6 Pt Sr2.145 -","- Ca1.855 O6 Pt Sr2.145 -","- Ca11.13 O36 Pt6 Sr12.87 -","6","0.166667","","Wong-Ng, W.; Kaduk, J.A.; Young, R.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522199","9.478","","9.478","","11.3301","","90","","90","","120","","881.45","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr1.094 Ca2.906) Pt O6","","- Ca2.906 O6 Pt Sr1.094 -","- Ca2.906 O6 Pt Sr1.094 -","- Ca17.436 O36 Pt6 Sr6.564 -","6","0.166667","","Wong-Ng, W.; Brown, H.J.; Kaduk, J.A.; Jiang, F.; Young, R.A.; Swartzendruber, L.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000205","15.265","","20.524","","3.99","","90","","90","","90","","1250.06","","","","","","","","","","","","","3","P 21 21 21","","","","","","- C18 H12 O2 -","","","","","","Yatsenko, A. V.; Chernyshev, V. V.; Zhukov, S. G.; Sonneveld, E. J.; Schenk, H.","Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction","Powder Diffraction","1999","14","","133","135","10.1017/S0885715600010447","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000221","11.599","","11.55","","8.575","","90","","110.76","","90","","1074.19","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N4 O4 -","- C9 H12 N4 O4 -","- C36 H48 N16 O16 -","4","1","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A.","Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data","Powder Diffraction","1999","14","","289","292","10.1017/S0885715600010708","","","","","","","","","","","","","","","","","","","","","has coordinates","301845","2025-08-21","10:22:19",""
"6000241","3.3285","","3.3285","","58.127","","90","","90","","120","","557.71","","","","","","","","","","","","","3","R -3 m","","","","","","- In2 O8 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000242","3.3505","","3.3505","","57.863","","90","","90","","120","","562.54","","","","","","","","","","","","","4","R -3 m","","","","","","- In1.6 O8 Y0.4 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000289","12.426","0.002","12.173","0.002","6.656","0.001","90","","100.19","0.01","90","","991","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N3 O3 -","","","4","1","","De Armas, H. N.; Hernandez, R. G.; Rivera, A. B.; Hernandez, R. P.; Martinez, I. H.","Crystal pseudopolymorphism of secnidazole bulk drug, C7H11N3O3","Powder Diffraction","1999","14","","136","141","10.1017/S0885715600010459","","","","","","","","","","","","","","","","","","","","","","203339","2020-10-21","18:00:00",""
"6000331","7.383","","7.3226","","7.3444","","90","","120.233","","90","","343.05","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Ni0.5 O5 P Ti -","","","","","","Gravereau, P.; Chaminade, J. P.; Manoun, B.; Krimi, S.; El, Jazouli A","Ab initio determination and Rietveld refinement of the crystal structure of Ni0.50TiO(PO4)","Powder Diffraction","1999","14","","10","15","10.1017/S088571560001023X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000332","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Cu3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000333","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Mn3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000334","10.234","","10.234","","10.234","","90","","90","","90","","1071.86","","","","","","","","","","","","","5","Fm3m","","","","","","- C6 Fe K N6 Ni -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000335","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C6 H4 Fe K Mn N6 O2 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000771","14.471","","9.6","","11.948","","90","","93.21","","90","","1657.23","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C18 H24 Cl N O2 -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000772","14.487","","9.878","","11.39","","90","","91.66","","90","","1629.25","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C17 H21 Cl2 N O -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000773","17.356","0.006","3.528","0.001","11.285","0.001","90","","93.23","0.02","90","","1912.6","","","","","","","","","","","","","4","","","","","","","- C5 H7 N5 O3 -","","","4","","","Tettenhorst, R. T.; Gerkin, R. E.","X-ray powder diffraction data for ammonium hydrogen (acid) urate, NH4C5H3N4O3","Powder Diffraction","1999","14","","305","307","10.1017/S0885715600010745","","","","","","","","","","","","","","","","","","","","","","203577","2020-10-21","18:00:00",""