#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005040.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_9005040 _chemical_name 'Calcioancylite-(Nd)' loop_ _publ_author_name 'Orlandi P' 'Pasero M' 'Vezzalini G' _journal_name_full "European Journal of Mineralogy" _journal_volume 2 _journal_year 1990 _journal_page_first 413 _journal_page_last 418 _publ_section_title ; Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy Locality: Baveno, Italy ; _chemical_formula_sum 'Nd.879 Ce.626 Sm.324 Gd.273 Y.254 Pr.147 La.137 Dy.068 Tm _cell_length_a 4.976 _cell_length_b 8.468 _cell_length_c 7.212 _cell_angle_alpha 90.04 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 303.890 _symmetry_space_group_name_H-M 'P m 1 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-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 NdM1 0.25000 0.33990 0.35240 0.22500 0.01320 CeM1 0.25000 0.33990 0.35240 0.16000 0.01320 SmM1 0.25000 0.33990 0.35240 0.08300 0.01320 GdM1 0.25000 0.33990 0.35240 0.07000 0.01320 YM1 0.25000 0.33990 0.35240 0.06500 0.01320 PrM1 0.25000 0.33990 0.35240 0.03700 0.01320 LaM1 0.25000 0.33990 0.35240 0.03500 0.01320 DyM1 0.25000 0.33990 0.35240 0.01700 0.01320 TmM1 0.25000 0.33990 0.35240 0.00700 0.01320 CaM1 0.25000 0.33990 0.35240 0.30000 0.01320 NdM2 0.25000 0.16770 0.85170 0.13000 0.01490 CeM2 0.25000 0.16770 0.85170 0.09200 0.01490 SmM2 0.25000 0.16770 0.85170 0.04800 0.01490 GdM2 0.25000 0.16770 0.85170 0.04000 0.01490 YM2 0.25000 0.16770 0.85170 0.03700 0.01490 PrM2 0.25000 0.16770 0.85170 0.02200 0.01490 LaM2 0.25000 0.16770 0.85170 0.02000 0.01490 DyM2 0.25000 0.16770 0.85170 0.01000 0.01490 TmM2 0.25000 0.16770 0.85170 0.00400 0.01490 CaM2 0.25000 0.16770 0.85170 0.59600 0.01490 NdM3 0.75000 0.66090 0.64480 0.20300 0.01020 CeM3 0.75000 0.66090 0.64480 0.14500 0.01020 SmM3 0.75000 0.66090 0.64480 0.07500 0.01020 GdM3 0.75000 0.66090 0.64480 0.06300 0.01020 YM3 0.75000 0.66090 0.64480 0.05900 0.01020 PrM3 0.75000 0.66090 0.64480 0.03400 0.01020 LaM3 0.75000 0.66090 0.64480 0.03200 0.01020 DyM3 0.75000 0.66090 0.64480 0.01600 0.01020 TmM3 0.75000 0.66090 0.64480 0.00700 0.01020 CaM3 0.75000 0.66090 0.64480 0.36700 0.01020 NdM4 0.75000 0.84400 0.14450 0.32100 0.00820 CeM4 0.75000 0.84400 0.14450 0.22900 0.00820 SmM4 0.75000 0.84400 0.14450 0.11800 0.00820 GdM4 0.75000 0.84400 0.14450 0.10000 0.00820 YM4 0.75000 0.84400 0.14450 0.09300 0.00820 PrM4 0.75000 0.84400 0.14450 0.05400 0.00820 LaM4 0.75000 0.84400 0.14450 0.05000 0.00820 DyM4 0.75000 0.84400 0.14450 0.02500 0.00820 TmM4 0.75000 0.84400 0.14450 0.01100 0.00820 C1 0.75000 0.19100 0.17700 1.00000 0.01700 C2 0.75000 0.31200 0.69900 1.00000 0.01700 C3 0.25000 0.81700 0.80500 1.00000 0.00700 C4 0.25000 0.68700 0.31400 1.00000 0.01100 O11 0.75000 0.32500 0.27200 1.00000 0.01200 O12 0.75000 0.19400 0.79000 1.00000 0.00800 O13 0.25000 0.69500 0.70500 1.00000 0.03300 O14 0.25000 0.83100 0.24100 1.00000 0.02800 O21 0.52900 0.12500 0.14300 1.00000 0.01500 O22 0.52000 0.38300 0.64900 1.00000 0.01800 O23 0.48000 0.88500 0.84700 1.00000 0.02300 O24 0.47300 0.62200 0.35300 1.00000 0.02100 O31 0.25000 0.41200 0.03600 1.00000 0.02300 O32 0.25000 0.08200 0.52600 1.00000 0.01600 O33 0.75000 0.59000 0.98100 1.00000 0.02000 O34 0.75000 0.89900 0.46300 1.00000 0.01500