#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9002384.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_9002384 _chemical_name 'Ca3Mn2Ge3O12' loop_ _publ_author_name 'Heinemann S' 'Miletich R' _journal_name_full "American Mineralogist" _journal_volume 85 _journal_year 2000 _journal_page_first 993 _journal_page_last 1000 _publ_section_title ; Structure and twinning of tetragonal Ca3Mn2Ge3O12 garnet ; _chemical_formula_sum 'Ca3 Mn2 Ge3 O12' _cell_length_a 12.3098 _cell_length_b 12.3098 _cell_length_c 12.3277 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1868.031 _symmetry_space_group_name_H-M 'I 41/a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z CaD1 0.12510 -0.00229 0.25040 CaD2 0.00000 0.25000 0.62281 MnOca 0.00000 0.00000 0.50000 MnOcb 0.00000 0.00000 0.00000 GeT1a 0.00000 0.25000 0.37500 GeT1b 0.00000 0.25000 0.87500 GeT2 0.12518 0.00317 0.74330 O1a 0.45180 0.64970 0.96420 O1b 0.05220 0.65290 0.03340 O2a 0.66010 0.03110 0.05690 O2b 0.85580 0.03720 0.95380 O3a 0.03190 0.05270 0.64520 O3b 0.46480 0.04990 0.33990