#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000770.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_9000770 _chemical_name 'Kolicite' loop_ _publ_author_name 'Peacor D R' _journal_name_full "American Mineralogist" _journal_volume 65 _journal_year 1980 _journal_page_first 483 _journal_page_last 487 _publ_section_title ; The crystal structure of kolicite, Mn7(OH)4[As2Zn4Si2O16(OH)4] ; _chemical_formula_sum 'Mn7 As2 Zn4 Si2 O24 H8' _cell_length_a 18.590 _cell_length_b 8.789 _cell_length_c 12.040 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1967.186 _symmetry_space_group_name_H-M 'C m c a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,1/2+y,1/2-z' '1/2+x,+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn1 0.00000 0.00000 0.00000 Mn2 0.17519 0.00000 0.00000 Mn3 0.08776 0.27390 0.13633 As 0.00000 0.63730 0.12816 Zn 0.16817 0.63219 0.13180 Si 0.25000 0.38470 0.25000 O1 0.00000 0.26680 0.99440 O2 0.07380 0.52440 0.13700 O3 0.25470 0.98650 0.13550 O4 0.00000 0.26100 0.26280 O5 0.17630 0.28400 0.25240 O-H1 0.16970 0.26640 0.00780 O-H2 0.08470 0.03320 0.11260