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: Nd-ClAp
;
_database_code_amcsd 0002521
_chemical_formula_sum 'Ca4.822 Nd.092 Na.087 P3 O12 Cl2'
_cell_length_a 9.6474
_cell_length_b 9.6474
_cell_length_c 6.7747
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 546.061
_exptl_crystal_density_diffrn      3.432
_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   0.00280   0.98300   0.01431
Nd1   0.66667   0.33333   0.00280   0.01720   0.01431
Ca2   0.00310   0.25786   0.25000   0.95200   0.01532
Na2   0.00310   0.25786   0.25000   0.02900   0.01532
Nd2   0.00310   0.25786   0.25000   0.01910   0.01532
P   0.37501   0.40740   0.25000   1.00000   0.01343
O1   0.49160   0.34290   0.25000   1.00000   0.01912
O2   0.46590   0.59330   0.25000   1.00000   0.01925
O3   0.26670   0.35290   0.06780   1.00000   0.02495
Cl   0.00000   0.00000   0.44800   1.00000   0.02824