#------------------------------------------------------------------------------ #$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120115 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/47/9014793.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9014793 loop_ _publ_author_name 'Andrade, M. B.' 'Atencio, D.' 'Chukanov, N. V.' 'Ellena, J.' _publ_section_title ; Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil ; _journal_name_full 'American Mineralogist' _journal_page_first 292 _journal_page_last 296 _journal_volume 98 _journal_year 2013 _chemical_compound_source 'Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil' _chemical_formula_sum 'Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2' _chemical_name_mineral Hydrokenomicrolite _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.454 _cell_length_b 10.454 _cell_length_c 10.454 _cell_volume 1142.477 _database_code_amcsd 0019783 _exptl_crystal_density_diffrn 8.210 _[local]_cod_cif_authors_sg_H-M 'F d 3 m' _[local]_cod_chemical_formula_sum_orig 'Ba.66 Sr.54 U.2 Ce.04 La.04 Mn.04 Nd.04 Bi.02 Ca.02 Pb.02 (Ta1.75 Nb.1 Sn.1 Si.04 Ti.01) O8.92 Cs.03 H6.068' _cod_database_code 9014793 loop_ _space_group_symop_operation_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z 3/4+z,1/2-x,1/4+y 3/4+z,-x,3/4+y 1/4+z,1/2-x,3/4+y 1/4+z,-x,1/4+y 3/4-y,1/2+z,1/4-x 3/4-y,+z,3/4-x 1/4-y,1/2+z,3/4-x 1/4-y,+z,1/4-x 3/4+x,1/2-y,1/4+z 3/4+x,-y,3/4+z 1/4+x,1/2-y,3/4+z 1/4+x,-y,1/4+z 3/4-z,1/2+x,1/4-y 3/4-z,+x,3/4-y 1/4-z,1/2+x,3/4-y 1/4-z,+x,1/4-y 3/4+y,1/2-z,1/4+x 3/4+y,-z,3/4+x 1/4+y,1/2-z,3/4+x 1/4+y,-z,1/4+x 3/4-x,1/2+y,1/4-z 3/4-x,+y,3/4-z 1/4-x,1/2+y,3/4-z 1/4-x,+y,1/4-z 1/2+x,3/4-z,1/4-y 1/2+x,1/4-z,3/4-y +x,3/4-z,3/4-y +x,1/4-z,1/4-y 1/2-z,3/4+y,1/4+x 1/2-z,1/4+y,3/4+x -z,3/4+y,3/4+x -z,1/4+y,1/4+x 1/2+y,3/4-x,1/4-z 1/2+y,1/4-x,3/4-z +y,3/4-x,3/4-z +y,1/4-x,1/4-z 1/2-x,3/4+z,1/4+y 1/2-x,1/4+z,3/4+y -x,3/4+z,3/4+y -x,1/4+z,1/4+y 1/2+z,3/4-y,1/4-x 1/2+z,1/4-y,3/4-x +z,3/4-y,3/4-x +z,1/4-y,1/4-x 1/2-y,3/4+x,1/4+z 1/2-y,1/4+x,3/4+z -y,3/4+x,3/4+z -y,1/4+x,1/4+z x,1/2+z,1/2+y x,+z,+y 1/2+x,1/2+z,+y 1/2+x,+z,1/2+y -z,1/2-y,1/2-x -z,-y,-x 1/2-z,1/2-y,-x 1/2-z,-y,1/2-x y,1/2+x,1/2+z y,+x,+z 1/2+y,1/2+x,+z 1/2+y,+x,1/2+z -x,1/2-z,1/2-y -x,-z,-y 1/2-x,1/2-z,-y 1/2-x,-z,1/2-y z,1/2+y,1/2+x z,+y,+x 1/2+z,1/2+y,+x 1/2+z,+y,1/2+x -y,1/2-x,1/2-z -y,-x,-z 1/2-y,1/2-x,-z 1/2-y,-x,1/2-z 3/4+z,1/4+x,1/2-y 3/4+z,3/4+x,-y 1/4+z,1/4+x,-y 1/4+z,3/4+x,1/2-y 3/4-y,1/4-z,1/2+x 3/4-y,3/4-z,+x 1/4-y,1/4-z,+x 1/4-y,3/4-z,1/2+x 3/4+x,1/4+y,1/2-z 3/4+x,3/4+y,-z 1/4+x,1/4+y,-z 1/4+x,3/4+y,1/2-z 3/4-z,1/4-x,1/2+y 3/4-z,3/4-x,+y 1/4-z,1/4-x,+y 1/4-z,3/4-x,1/2+y 3/4+y,1/4+z,1/2-x 3/4+y,3/4+z,-x 1/4+y,1/4+z,-x 1/4+y,3/4+z,1/2-x 3/4-x,1/4-y,1/2+z 3/4-x,3/4-y,+z 1/4-x,1/4-y,+z 1/4-x,3/4-y,1/2+z -z,3/4+x,3/4+y -z,1/4+x,1/4+y 1/2-z,3/4+x,1/4+y 1/2-z,1/4+x,3/4+y y,3/4-z,3/4-x y,1/4-z,1/4-x 1/2+y,3/4-z,1/4-x 1/2+y,1/4-z,3/4-x -x,3/4+y,3/4+z -x,1/4+y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-x,1/4+y,3/4+z z,3/4-x,3/4-y z,1/4-x,1/4-y 1/2+z,3/4-x,1/4-y 1/2+z,1/4-x,3/4-y -y,3/4+z,3/4+x -y,1/4+z,1/4+x 1/2-y,3/4+z,1/4+x 1/2-y,1/4+z,3/4+x x,3/4-y,3/4-z x,1/4-y,1/4-z 1/2+x,3/4-y,1/4-z 1/2+x,1/4-y,3/4-z 1/4-x,1/2+z,3/4-y 1/4-x,+z,1/4-y 3/4-x,1/2+z,1/4-y 3/4-x,+z,3/4-y 1/4+z,1/2-y,3/4+x 1/4+z,-y,1/4+x 3/4+z,1/2-y,1/4+x 3/4+z,-y,3/4+x 1/4-y,1/2+x,3/4-z 1/4-y,+x,1/4-z 3/4-y,1/2+x,1/4-z 3/4-y,+x,3/4-z 1/4+x,1/2-z,3/4+y 1/4+x,-z,1/4+y 3/4+x,1/2-z,1/4+y 3/4+x,-z,3/4+y 1/4-z,1/2+y,3/4-x 1/4-z,+y,1/4-x 3/4-z,1/2+y,1/4-x 3/4-z,+y,3/4-x 1/4+y,1/2-x,3/4+z 1/4+y,-x,1/4+z 3/4+y,1/2-x,1/4+z 3/4+y,-x,3/4+z 3/4-x,3/4-z,y 3/4-x,1/4-z,1/2+y 1/4-x,3/4-z,1/2+y 1/4-x,1/4-z,y 3/4+z,3/4+y,-x 3/4+z,1/4+y,1/2-x 1/4+z,3/4+y,1/2-x 1/4+z,1/4+y,-x 3/4-y,3/4-x,z 3/4-y,1/4-x,1/2+z 1/4-y,3/4-x,1/2+z 1/4-y,1/4-x,z 3/4+x,3/4+z,-y 3/4+x,1/4+z,1/2-y 1/4+x,3/4+z,1/2-y 1/4+x,1/4+z,-y 3/4-z,3/4-y,x 3/4-z,1/4-y,1/2+x 1/4-z,3/4-y,1/2+x 1/4-z,1/4-y,x 3/4+y,3/4+x,-z 3/4+y,1/4+x,1/2-z 1/4+y,3/4+x,1/2-z 1/4+y,1/4+x,-z -z,-x,-y -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y -y,-z,-x -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv BaA 0.50000 0.50000 0.50000 0.33000 0.05560 SrA 0.50000 0.50000 0.50000 0.27000 0.05560 UA 0.50000 0.50000 0.50000 0.10000 0.05560 CeA 0.50000 0.50000 0.50000 0.02000 0.05560 LaA 0.50000 0.50000 0.50000 0.02000 0.05560 MnA 0.50000 0.50000 0.50000 0.02000 0.05560 NdA 0.50000 0.50000 0.50000 0.02000 0.05560 BiA 0.50000 0.50000 0.50000 0.01000 0.05560 CaA 0.50000 0.50000 0.50000 0.01000 0.05560 PbA 0.50000 0.50000 0.50000 0.01000 0.05560 TaB 0.00000 0.00000 0.00000 0.87500 0.03060 NbB 0.00000 0.00000 0.00000 0.05000 0.03060 SnB 0.00000 0.00000 0.00000 0.05000 0.03060 SiB 0.00000 0.00000 0.00000 0.02000 0.03060 TiB 0.00000 0.00000 0.00000 0.00500 0.03060 OX 0.31910 0.12500 0.12500 0.96200 0.03800 O-HX 0.31910 0.12500 0.12500 0.03800 0.03800 WatY 0.37500 0.37500 0.37500 0.32000 0.05100 CsY 0.37500 0.37500 0.37500 0.03000 0.05100 WatY* 0.74700 0.74700 0.74700 0.65000 0.05100 _journal_paper_doi 10.2138/am.2013.4186