# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:10:54+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 n m' 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
"1008756","4.858","","4.292","","2.955","","90","","90","","90","","61.6","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Chromium oxide hydroxide - β","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Pernet, M.; Berthet-Colominas, C.; Alario-Franco, M. A.; Christensen, A. N.","Etude par diffraction neutronique de l'oxyhydroxyde de chrome β-CrOOH","Physica Status Solidi A: Applications and Materials Science","1977","43","1","81","88","10.1002/pssa.2210430107","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","200093","2020-10-21","18:00:00",""
"1009073","4.937","","4.432","","2.994","","90","","90","","90","","65.5","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Iron oxide hydroxide - HP","","- Fe H O2 -","- Fe H2 O2 -","- Fe2 H4 O4 -","2","0.5","","Pernet, M; Joubert, J C; Berthet-Colominas, C","Etude par diffraction neutronique de la forme haute pression de Fe O O H","Solid State Communications","1975","17","","1505","1510","10.1016/0038-1098(75)90983-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1527723","5.26","","4.56","","3.27","","90","","90","","90","","78.433","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","In O (O H)","","- H In O2 -","- H In O2 -","- H2 In2 O4 -","2","0.5","","Lehmann, M.S.; Poulsen, F.R.; Larsen, F.K.; Rasmussen, S.E.; Norlund Christensen, A.","Neutron and X-ray crystallographic studies on indium oxide hydroxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","1662","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534363","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Cr O (O D)","","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.5","","Christensen, N.; Hansen, P.","The magnetic structure of beta-Cr O O D","Acta Chemica Scandinavica, Series A: (28,1974-)","1976","30","","835","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544547","4.71247","0.00004","4.22417","0.00004","2.83203","0.00002","90","","90","","90","","56.3752","0.0008","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","AlOOH delta phase","","delta-AlOOH","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188426","2020-10-21","18:00:00",""
"2101476","4.251","0.002","4.463","0.003","10.86","0.003","90","","90","","90","","206.04","0.18","293","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","","","- B4 O7 Pb -","- B4 O7 Pb -","- B8 O14 Pb2 -","2","0.5","BM0004","Corker, D. L.; Glazer, A. M.","Structure and optical non-linearity of PbO.2B~2~O~3~","Acta Crystallographica Section B","1996","52","2","260","265","10.1107/S0108768195013310","","","0.71069","MoKα","","","2.23","","","2.52","","","","","1.07","1.07","","","","","has coordinates","208158","2020-10-21","18:00:00",""
"2211226","4.7128","0.0011","4.2221","0.0015","2.8315","0.0007","90","","90","","90","","56.34","0.03","297","2","297","2","","","","","","","","3","P 21 n m","P -2 2ac","31","Aluminum oxide hydroxide","Aluminum oxide hydroxide","","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","WM2048","Komatsu, Kazuki; Kuribayashi, Takahiro; Sano, Asami; Ohtani, Eiji; Kudoh, Yasuhiro","Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data","Acta Crystallographica Section E","2006","62","11","i216","i218","10.1107/S160053680603916X","","","0.7007","synchrotron","","0.0139","0.0139","","","0.0414","0.0414","","","","","","1.328","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2310461","4.237","","4.431","","10.706","","90","","90","","90","","200.996","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Sr B4 O7","","- B4 O7 Sr -","- B4 O7 Sr -","- B8 O14 Sr2 -","2","0.5","","Perloff, A.; Block, S.","The crystal structure of the strontium and lead tetraborates, Sr O (B2 O3)2 and Pb O (B2 O3)2","Acta Crystallographica (1,1948-23,1967)","1966","20","","274","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7005275","7.2615","0.0001","12.0539","0.0002","19.1113","0.0003","90","","90","","90","","1672.8","0.04","150","2","150","2","","","","","","","","7","P 21 n m","P -2 2ac","31","","","","- C24 H30 B2 F8 Mo2 N8 O2 -","- C24 H30 B2 F8 Mo2 N8 O2 -","- C48 H60 B4 F16 Mo4 N16 O4 -","2","0.5","","Brown, Douglas J.; Chisholm, Malcolm H.; Gribble, Christopher W.","Substitution chemistry of MM quadruply bonded complexes (M = Mo or W) supported by the anion of 2-hydroxy-6-methylpyridine.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1793","1801","10.1039/b618957a","","","0.71073","MoKα","","0.0324","0.0282","","","0.0671","0.0687","","","","","","1.034","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7009508","9.8789","0.001","13.2748","0.0014","16.7055","0.0017","90","","90","","90","","2190.8","0.4","293","","293","","","","","","","","","7","P 21 n m","P -2 2ac","31","","","","- C40 H72 B F4 N2 P2 Rh -","- C40 H72 B F4 N2 P2 Rh -","- C80 H144 B2 F8 N4 P4 Rh2 -","2","0.5","","Chisholm, Malcolm H.; Huffman, John C.; Iyer, Suri S.","Some studies of the substitution chemistry of [Rh2(OAc)2(CH3CN)4][BF4]2 with monodentate and bidentate tertiary phosphines †","Journal of the Chemical Society, Dalton Transactions","2000","","9","1483","","10.1039/b001444n","","","0.71069","MoKα","","","0.0257","","","","0.0261","","","","","","1.4544","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"9004392","7.084","","7.293","","16.881","","90","","90","","90","","872.133","","","","","","","","","","","","","5","P 21 n m","P -2 2ac","31","","","Guilleminite","- Ba H6 O17 Se2 U3 -","- Ba H6 O17 Se2 U3 -","- Ba2 H12 O34 Se4 U6 -","2","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure","The Canadian Mineralogist","1995","33","","1103","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9006908","4.7134","","4.2241","","2.83252","","90","","90","","90","","56.395","","","","","","","","","","synthesized at 21 GPa and 1000 C","synthesized at 21 GPa","","3","P 21 n m","P -2 2ac","31","","","","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","","Suzuki, A.; Ohtani, E.; Kamada, T.","A new hydrous phase delta-AlOOH synthesized at 21 GPa and 1000 C","Physics and Chemistry of Minerals","2000","27","","689","693","10.1007/s002690000120","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9010942","4.71236","","4.2311","","2.8289","","90","","90","","90","","56.404","","","","","","","","","","","","","4","P 21 n m","P -2 2ac","31","","","Boehmite (deuterated)","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Vanpeteghem, C. B.; Sano, A.; Komatsu, K.; Ohtani, E.; Suzuki, A.","Neutron diffraction study of aluminous hydroxide d-AlOOD","Physics and Chemistry of Minerals","2007","34","","657","661","10.1007/s00269-007-0180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9012128","4.873","","4.332","","2.963","","90","","90","","90","","62.548","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","","Guyanaite (deuterated)","- Cr D O2 -","- Cr D O2 -","- Cr2 D2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012129","4.862","","4.298","","2.995","","90","","90","","90","","62.586","","","","","","","","","","","","Synthetic","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Christensen, N.; Hansen, P.; Lehmann, M. S.","Isotope effects in the bonds of beta-CrOOH and beta-CrOOD","Journal of Solid State Chemistry","1976","19","","299","304","10.1016/0022-4596(76)90180-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013175","4.7179","","4.2361","","2.8323","","90","","90","","90","","56.605","","","","","","","","100","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 0.0001 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013176","4.7112","","4.2284","","2.8296","","90","","90","","90","","56.368","","","","","","","","600000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 0.6 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013177","4.6969","","4.2133","","2.8243","","90","","90","","90","","55.891","","","","","","","","2000000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 2.0 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013178","4.6827","","4.1962","","2.8181","","90","","90","","90","","55.374","","","","","","","","3500000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 3.5 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013179","4.6706","","4.1836","","2.8129","","90","","90","","90","","54.964","","","","","","","","4700000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 4.7 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013180","4.6601","","4.1711","","2.8076","","90","","90","","90","","54.573","","","","","","","","6000000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 6.0 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013181","4.6506","","4.161","","2.8033","","90","","90","","90","","54.247","","","","","","","","7000000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 7.0 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013182","4.6432","","4.1529","","2.8","","90","","90","","90","","53.992","","","","","","","","","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 7. 9 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013183","4.6393","","4.1477","","2.7978","","90","","90","","90","","53.836","","","","","","","","8400000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 8.4 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013184","4.6357","","4.1434","","2.7961","","90","","90","","90","","53.706","","","","","","","","8900000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 8.9 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013185","4.6328","","4.1401","","2.7947","","90","","90","","90","","53.603","","","","","","","","9200000","","","","","4","P 21 n m","P -2 2ac","31","delta-AlOOD","","","- Al D0.744 H0.256 O2 -","- Al D0.744 H0.256 O2 -","- Al2 D1.488 H0.512 O4 -","2","0.5","","Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.","Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 9.2 GPa Locality: synthetic","American Mineralogist","2008","93","","1558","1567","10.2138/am.2008.2849","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014968","5.2","","9.6225","","11.534","","90","","90","","90","","577.127","","","","","","","","","","","","Otto Mountain, Baker, California","5","P 21 n m","P -2 2ac","31","","","Timroseite","- Cu5 H2 O14 Pb2.04 Te2 -","- Cu5 H2 O14 Pb2.04 Te2 -","- Cu10 H4 O28 Pb4.08 Te4 -","2","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets","American Mineralogist","2010","95","","1560","1568","10.2138/am.2010.3514","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015340","4.8623","","4.2972","","2.9567","","90","","90","","90","","61.778","","","","","","","","","","","","synthetic at 4.0 GPa and 600 deg C for 24 hours","3","P 21 n m","P -2 2ac","31","","","Guyanaite","- Cr H O2 -","- Cr H O2 -","- Cr2 H2 O4 -","2","0.5","","Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.","Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9","European Journal of Mineralogy","2012","24","","839","850","10.1127/0935-1221/2012/0024-2228","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""