data_global
_chemical_name_mineral 'Apatite-(CaCl)'
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 0002523
_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