data_global _chemical_name_mineral 'Chlorapatite' loop_ _publ_author_name 'Fleet M E' 'Liu X' 'Pan Y' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 1437 _journal_page_last 1446 _publ_section_title ; Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: Uptake, site preference, and degradation of monoclinic structure Sample: La-ClAp ; _database_code_amcsd 0002519 _chemical_formula_sum 'Ca4.899 Na.05 La.052 P3 O12 Cl' _cell_length_a 9.6501 _cell_length_b 19.3002 _cell_length_c 6.7724 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120. _cell_volume 1092.363 _exptl_crystal_density_diffrn 3.193 _symmetry_space_group_name_H-M 'P 1 1 21/b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+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_U_iso_or_equiv Ca1 0.32270 0.58037 0.00370 0.96300 0.00532 Na1 0.32270 0.58037 0.00370 0.02500 0.00532 La1 0.32270 0.58037 0.00370 0.01260 0.00532 Ca1p 0.34490 0.58650 0.49680 0.96300 0.02128 Na1p 0.34490 0.58650 0.49680 0.02500 0.02128 La1p 0.34490 0.58650 0.49680 0.01260 0.02128 Ca2a 0.25884 0.25185 0.24840 0.99100 0.01406 La2a 0.25884 0.25185 0.24840 0.00890 0.01406 Ca2b 0.00426 0.62268 0.74810 0.99100 0.01558 La2b 0.00426 0.62268 0.74810 0.00890 0.01558 Ca2c 0.25546 0.37953 0.75010 0.99100 0.01468 La2c 0.25546 0.37953 0.75010 0.00890 0.01468 P(a) 0.40750 0.43754 0.25550 1.00000 0.01191 P(b) 0.62463 0.26654 0.25310 1.00000 0.01229 P(c) 0.03239 0.45376 0.75350 1.00000 0.01241 O1a 0.34360 0.49575 0.24800 1.00000 0.01735 O1b 0.49200 0.32379 0.75600 1.00000 0.01684 O1c 0.14810 0.57837 0.25700 1.00000 0.01773 O2a 0.59210 0.48276 0.23540 1.00000 0.01482 O2b 0.53410 0.31366 0.24100 1.00000 0.01494 O2c 0.12680 0.54621 0.73320 1.00000 0.01456 O3a 0.33630 0.37960 0.07960 1.00000 0.01583 O3b 0.73990 0.29010 0.07550 1.00000 0.01722 O3c 0.07920 0.41800 0.57840 1.00000 0.01722 O3ap 0.36960 0.38760 0.44420 1.00000 0.01343 O3bp 0.72600 0.29680 0.44070 1.00000 0.01241 O3cp 0.09250 0.43500 0.94290 1.00000 0.01254 Cl 0.00170 0.24930 0.44510 1.00000 0.02001