data_9001262
_chemical_name 'Fluorapatite'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Crowley K D'
_journal_name_full "American Mineralogist"
_journal_volume 75
_journal_year 1990
_journal_page_first 295
_journal_page_last 304
_publ_section_title
;
 Crystal structures of natural ternary apatites: Solid solution in the
 Ca5(PO4)3X (X = F,OH,Cl) system
;
_chemical_formula_sum 'Ca5 P3 O12.28 F.39 Cl.33 H2'
_cell_length_a 9.4615
_cell_length_b 9.4615
_cell_length_c 6.8491
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 530.987
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_symmetry_equiv_pos_as_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
Ca1   0.66667   0.33333   0.00180   1.00000
Ca2A  -0.00699   0.23861   0.25000   0.89000
Ca2B  -0.00180   0.27090   0.25000   0.11000
P   0.36968   0.40053   0.25000   1.00000
O1   0.48620   0.33150   0.25000   1.00000
O2   0.46510   0.58840   0.25000   1.00000
O3   0.25970   0.34500   0.06990   1.00000
F   0.00000   0.00000   0.25000   0.39000
O-H   0.00000   0.00000   0.20000   0.14000
ClB   0.00000   0.00000   0.36800   0.08200
ClA   0.00000   0.00000   0.44000   0.08300