#------------------------------------------------------------------------------ #$Date: 2008-03-04 19:28:24 +0200 (Tue, 04 Mar 2008) $ #$Revision: 225 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004473.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9004473 _chemical_name 'Tadzhikite-(Y)' loop_ _publ_author_name 'Hawthorne F C' 'Cooper M A' 'Taylor M C' _journal_name_full "The Canadian Mineralogist" _journal_volume 36 _journal_year 1998 _journal_page_first 817 _journal_page_last 822 _publ_section_title ; Refinement of the crystal structure of tadzhikite Locality: Dara-i-Pioz, Tadzhikistan ; _chemical_formula_sum 'Si4 Ti.56 Fe.3 Al.07 Mn.04 B4 Ca4 (Y2 Na2) (Ce8 Nd8 La8 D' _cell_length_a 19.058 _cell_length_b 4.729 _cell_length_c 10.321 _cell_angle_alpha 90 _cell_angle_beta 111.39 _cell_angle_gamma 90 _cell_volume 866.112 _symmetry_space_group_name_H-M 'P 1 2/a 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-x,y,-z' '1/2+x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv Si1 0.10200 5.48400 7.64800 1.00000 0.02000 Si2 0.38700 0.49600 3.83600 5.00000 0.02000 Ti 0.00000 0.00000 0.00000 0.56000 0.02200 Fe 0.00000 0.00000 0.00000 0.30000 0.02200 Al 0.00000 0.00000 0.00000 0.07000 0.02200 Mn 0.00000 0.00000 0.00000 0.04000 0.02200 B1 0.17200 4.52300 8.45100 5.00000 0.01700 B2 0.24600 5.45800 2.86500 1.00000 0.01500 Ca1 0.25200 1.00100 1.34000 2.00000 0.02100 Ca2 0.34400 3.96100 5.07000 3.43000 0.02000 Y2 0.34400 3.96100 5.07000 3.45000 0.02000 Na2 0.34400 3.96100 5.07000 3.12000 0.02000 Ce1 0.03800 5.01400 7.35900 3.18000 0.01100 Nd1 0.03800 5.01400 7.35900 3.09000 0.01100 La1 0.03800 5.01400 7.35900 3.04000 0.01100 Dy1 0.03800 5.01400 7.35900 3.03000 0.01100 Pr1 0.03800 5.01400 7.35900 3.02000 0.01100 Gd1 0.03800 5.01400 7.35900 3.02000 0.01100 Sm1 0.03800 5.01400 7.35900 3.02000 0.01100 Er1 0.03800 5.01400 7.35900 3.01000 0.01100 Ce2 -0.04700 5.08000 9.63600 9.03000 0.01100 Nd2 -0.04700 5.08000 9.63600 9.02000 0.01100 La2 -0.04700 5.08000 9.63600 9.01000 0.01100 Ce3 0.03700 1.12200 5.35800 5.03000 0.01100 Nd3 0.03700 1.12200 5.35800 5.01000 0.01100 La3 0.03700 1.12200 5.35800 5.01000 0.01100 Ce4 0.04700 4.02300 0.36200 8.17000 0.01100 Nd4 0.04700 4.02300 0.36200 8.08000 0.01100 La4 0.04700 4.02300 0.36200 8.04000 0.01100 Dy4 0.04700 4.02300 0.36200 8.03000 0.01100 Pr4 0.04700 4.02300 0.36200 8.02000 0.01100 Gd4 0.04700 4.02300 0.36200 8.02000 0.01100 Sm4 0.04700 4.02300 0.36200 8.02000 0.01100 Er4 0.04700 4.02300 0.36200 8.01000 0.01100 O1 0.45600 7.25200 5.43400 1.20000 0.02600 O-H1 0.45600 7.25200 5.43400 1.80000 0.02600 O2 0.32200 6.31500 5.24300 1.00000 0.02700 O3 0.07100 9.70000 2.73200 9.35000 0.03000 O-H3 0.07100 9.70000 2.73200 9.65000 0.03000 O4 0.13200 9.66600 0.54100 6.80000 0.02600 O-H4 0.13200 9.66600 0.54100 6.20000 0.02600 O5 0.46100 9.19600 4.13000 8.00000 0.03100 O6 0.25300 7.75400 5.13900 8.00000 0.02700 O7 0.16700 3.22800 8.44700 3.35000 0.02600 O-H7 0.16700 3.22800 8.44700 3.65000 0.02600 O8 0.13300 0.67100 3.30900 6.65000 0.03000 O-H8 0.13300 0.67100 3.30900 6.35000 0.03000 O9 0.31200 5.32800 6.83900 2.00000 0.02900 O10 0.08600 4.72900 4.04300 1.00000 0.02700 O11 0.05300 8.25700 8.15800 4.65000 0.02800 O-H11 0.05300 8.25700 8.15800 4.35000 0.02800 O12 0.20000 5.33100 5.00000 1.00000 0.02900 O13 0.20000 5.64900 4.00000 5.00000 0.02700