data_global
_chemical_name_mineral 'Fluorapatite'
loop_
_publ_author_name
'Comodi P'
'Liu Y'
'Zanazzi P F'
'Montagnoli M'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 28 
_journal_year 2001
_journal_page_first 219
_journal_page_last 224
_publ_section_title
;
 Structural and vibrational behaviour of fluorapatite with pressure.
 Part 1: in situ single-crystal X-ray diffraction investigation
 Sample: P = 3.04 GPa
;
_database_code_amcsd 0008535
_chemical_formula_sum 'Ca5 P3 O12 F'
_cell_length_a 9.268
_cell_length_b 9.268
_cell_length_c 6.834
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 508.367
_exptl_crystal_density_diffrn      3.295
_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_U_iso_or_equiv
Ca1   0.66667   0.33333   0.00080   0.01060
Ca2  -0.00960   0.23960   0.25000   0.00950
P   0.36810   0.39750   0.25000   0.00780
O1   0.48380   0.32460   0.25000   0.00110
O2   0.46750   0.58800   0.25000   0.00140
O3   0.25620   0.34210   0.06880   0.01710
F   0.00000   0.00000   0.25000   0.03100