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 0002520
_chemical_formula_sum 'Ca4.899 Na.05 La.052 P3 O12 Cl2'
_cell_length_a 9.6499
_cell_length_b 9.6499
_cell_length_c 6.7725
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 546.167
_exptl_crystal_density_diffrn      3.408
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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   0.66667   0.33333   0.00347   0.96300   0.01596
Na1   0.66667   0.33333   0.00347   0.02500   0.01596
La1   0.66667   0.33333   0.00347   0.01260   0.01596
Ca2   0.00393   0.25895   0.25000   0.99100   0.01482
La2   0.00393   0.25895   0.25000   0.00890   0.01482
P   0.37530   0.40780   0.25000   1.00000   0.01229
O1   0.49170   0.34370   0.25000   1.00000   0.01735
O2   0.46590   0.59260   0.25000   1.00000   0.01786
O3   0.26730   0.35360   0.06770   1.00000   0.02280
Cl   0.00000   0.00000   0.44480   1.00000   0.02191