# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:02:46+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 2 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
"1010318","5.27","","5.27","","5.194","","90","","90","","90","","144.3","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Copper iron sulfide","","- Cu Fe S2 -","- Cu Fe S2 -","- Cu2 Fe2 S4 -","2","0.25","","Gross, R; Gross, N","Die Atomanordnung des Kupferkieses und die Struktur der Beruehrungsflaechen gesetzmaessig verwachsener Kristalle","Neues Jahrbuch fuer Mineralogie, Geologie und Palaeontologie. Beilage (- 1925)","1923","48","","113","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010459","6.34","0.005","6.34","0.005","6.34","0.005","90","","90","","90","","254.8","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Silver tetraiodomercurate","","- Ag2 Hg I4 -","- Ag2 Hg I4 -","- Ag2 Hg I4 -","1","0.125","","Ketelaar, J A A","Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","190","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010460","6.08","0.01","6.08","0.01","6.135","0.01","90","","90","","90","","226.8","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Copper(I) tetraiodomercurate","","- Cu2 Hg I4 -","- Cu2 Hg I4 -","- Cu2 Hg I4 -","1","0.125","","Ketelaar, J A A","Strukturbestimmung der komplexen Quecksilber-Verbindungen Ag~2~ Hg I~4~ und Cu~2~ Hg I~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","190","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509418","5.7934","","5.7934","","11.6223","","90","","90","","90","","390.085","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","","","- Ag In5 Se8 -","- Ag In5 Se8 -","- Ag In5 Se8 -","1","0.125","","Benoit, P.; Charpin, P.; Djega-Mariadassou, C.","Composes definis dans le systeme Ag-In-Se. Structure cristalline de ()2 Ag In5 Se8","Materials Research Bulletin","1983","18","","1047","1057","10.1016/0025-5408(83)90146-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521967","7.6796","","7.6796","","19.073","","90","","90","","90","","1124.85","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Th2 Al D2.75","","- Al D2.75 Th2 -","- Al D2.75 Th2 -","- Al12 D33 Th24 -","12","1.5","","Sorby, M.H.; Yartys', V.A.; Fjellvag, H.; Maeland, A.J.; Hauback, B.C.","Crystal structure of Th2 Al deuterides","Journal of Alloys Compd.","2000","309","","154","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528224","5.122","","5.122","","5.256","","90","","90","","90","","137.891","","","","","","","","","","","","","2","P -4 2 m","P -4 2","111","","Mn F2","","- F2 Mn -","- F2 Mn -","- F8 Mn4 -","4","0.5","","Yagi, T.; Jamieson, J. C.; Moore, P. B.","Polymorphism in MnF~2~ (Rutil Type) at high pressures","Journal of Geophysical Research","1979","84","B3","1113","1115","10.1029/JB084iB03p01113","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2002187","4.364","","4.364","","4.518","","90","","90","","90","","86","","","","","","","","","","","","","3","P -4 2 m","P -4 2","111","","Barium bismuth(IV) oxide","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba Bi O3 -","1","0.125","","Arpe, R; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie von Ba Bi O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","434","","73","77","10.1002/zaac.19774340107","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4313296","13.9193","0.0004","13.9193","0.0004","12.8152","0.0004","90","","90","","90","","2482.91","0.13","159","2","159","2","","","","","","","synthetic","7","P -4 2 m","P -4 2","111","","","","- C36 H128 Br8 Co4 N24 Ni4 O34 -","- C36 H60 Br8 Co4 N24 Ni4 O33.464 -","- C36 H60 Br8 Co4 N24 Ni4 O33.464 -","1","0.125","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0526","0.046","","0.1371","0.133","","","","1.114","1.14","1.14","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313299","13.961","0.005","13.961","0.005","12.822","0.005","90","","90","","90","","2499.1","1.6","159","2","159","2","","","","","","","synthetic","7","P -4 2 m","P -4 2","111","","","","- C36 H124 Br8 Fe4 N24 Ni4 O32 -","- C36 H60 Br8 Fe4 N24 Ni4 O32.124 -","- C36 H60 Br8 Fe4 N24 Ni4 O32.124 -","1","0.125","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0726","0.0529","","0.1516","0.1404","","","","1.08","1.11","1.11","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4329352","7.9703","0.0004","7.9703","0.0004","12.077","0.001","90","","90","","90","","767.2","0.08","","","25","","","","","","","","","4","P -4 2 m","P -4 2","111","","","sitinakite","- Nb2.4 O32.524 Si4 Ti5.6 -","- Nb0.6 O8.131 Si Sr0.0308 Ti1.4 -","- Nb2.4 O32.524 Si4 Sr0.1232 Ti5.6 -","4","0.5","","Samantha Kramer; Aaron J. Celestian","Effects of Hydration during Strontium Exchange into Nanoporous Hydrogen Niobium Titanium Silicate","Inorganic Chemistry","2012","51","","6251","6258","10.1021/ic300463w","powder diffraction","x-ray","0.3184","Monochromatic","","","","","","","","","","1.76","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329353","7.9712","0.0004","7.9712","0.0004","12.063","0.001","90","","90","","90","","766.48","0.08","","","25","","","","","","","","","5","P -4 2 m","P -4 2","111","","","sitinakite-Sr","- Nb2.4 O33.098 Si4 Sr0.717 Ti5.6 -","- Nb0.6 O8.2744 Si Sr0.1793 Ti1.4 -","- Nb2.4 O33.0976 Si4 Sr0.7172 Ti5.6 -","4","0.5","","Samantha Kramer; Aaron J. Celestian","Effects of Hydration during Strontium Exchange into Nanoporous Hydrogen Niobium Titanium Silicate","Inorganic Chemistry","2012","51","","6251","6258","10.1021/ic300463w","powder diffraction","x-ray","0.3184","Monochromatic","","","","","","","","","","1.23","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"7061628","6.8907","0.0005","6.8907","0.0005","5.8523","0.001","90","","90","","90","","277.88","0.06","296","2","413","2","","","","","","","","3","P -4 2 m","P -4 2","111","","","","- C14 O4 Re -","- C14 O4 Re -","- C14 O4 Re -","1","0.125","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0591","0.0417","","","0.1025","0.1081","","","","","","1.325","","","","has coordinates","277133","2022-08-06","11:58:13",""
"9011145","10.585","","10.585","","5.383","","90","","90","","90","","603.123","","","","","","","","","","","","Synthetic","3","P -4 2 m","P -4 2","111","","","Mooihoekite","- Cu9 Fe9 S16 -","- Cu9 Fe9 S16 -","- Cu9 Fe9 S16 -","1","0.125","","Hall, S. R.; Rowland, J. F.","The crystal structure of synthetic mooihoekite, Cu9Fe9S16","Acta Crystallographica, Section B","1973","29","","2365","2372","10.1107/S0567740873006710","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9014219","7.947","","7.947","","8.049","","90","","90","","90","","508.333","","","","","","","","","","","","Sunny Corner mine, Sunny Corner, New South Wales, Australia","5","P -4 2 m","P -4 2","111","","","Bariopharmacosiderite","- As3 Ba0.5 Fe4 H16.32 O22.16 -","- As3 Ba0.5 Fe4 H16.32 O22.16 -","- As3 Ba0.5 Fe4 H16.32 O22.16 -","1","0.125","","Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D.","The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-Q","The Canadian Mineralogist","2010","48","","1477","1485","10.3749/canmin.48.5.1477","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""