data_global
_amcsd_formula_title 'Ca5V3O12F'
loop_
_publ_author_name
'Baikie T'
'Mercier P H J'
'Elcombe M M'
'Kim J Y'
'Le Page Y'
'Mitchell L D'
'White T J'
'Whitfield P S'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 63 
_journal_year 2007
_journal_page_first 251
_journal_page_last 256
_publ_section_title
;
 Triclinic apatites
;
_database_code_amcsd 0009952
_chemical_formula_sum 'Ca5 V3 O12 F'
_cell_length_a 9.6987
_cell_length_b 9.6933
_cell_length_c 7.0170
_cell_angle_alpha 90.637
_cell_angle_beta 89.172
_cell_angle_gamma 120.136
_cell_volume 570.454
_exptl_crystal_density_diffrn      3.285
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.24400   0.00400   0.25000
Ca2   0.00100   0.24500   0.26100
Ca3   0.76200   0.76900   0.24400
Ca4   0.33900   0.65400   0.00000
Ca5   0.33600   0.67700   0.49700
V1   0.39600   0.37300   0.25700
V2   0.63300   0.02600   0.24800
V3   0.97000   0.60200   0.24000
O1   0.31000   0.48600   0.26700
O2   0.51000   0.82700   0.24900
O3   0.17600   0.68900   0.23000
O4   0.60400   0.47400   0.27000
O5   0.52700   0.12900   0.22400
O6   0.87000   0.40400   0.27100
O7   0.34200   0.25600   0.06400
O8   0.76500   0.07400   0.07100
O9   0.90100   0.64700   0.04900
O10   0.66200   0.75800   0.55500
O11   0.26600   0.90300   0.55000
O12   0.06900   0.30800   0.57500
F   0.00600   0.00500   0.25200