data_global
_chemical_name_mineral 'Arctite'
loop_
_publ_author_name
'Sokolova E V'
'Yamnova N A'
'Egorov-Tismenko Y K'
'Khomyakov A P'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 274 
_journal_year 1984
_journal_page_first 78
_journal_page_last 83
_publ_section_title
;
 The crystal structure of a new phosphate of Na,Ca and Ba: (Na5Ca)Ca6Ba(PO4)6F3
;
_database_code_amcsd 0012475
_chemical_formula_sum 'Na5 Ca7 Ba P6 O24 F3'
_cell_length_a 14.366
_cell_length_b 14.366
_cell_length_c 14.366
_cell_angle_alpha 28.58
_cell_angle_beta 28.58
_cell_angle_gamma 28.58
_cell_volume 599.786
_exptl_crystal_density_diffrn      3.211
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.31300   0.31300   0.78280   0.83333
Ca1   0.31300   0.31300   0.78280   0.16667
Ca   0.44308   0.44308   0.92830   1.00000
Ba   0.00000   0.00000   0.00000   1.00000
P1   0.67541   0.67541   0.67541   1.00000
P2   0.20725   0.20725   0.20725   1.00000
P3   0.08372   0.08372   0.08372   1.00000
O1   0.12070   0.12070   0.12070   1.00000
O2   0.19000   0.19000   0.83450   1.00000
O3   0.19380   0.19380   0.54450   1.00000
O4   0.24500   0.24500   0.24500   1.00000
O5   0.36210   0.36210   0.36210   1.00000
O6   0.31460   0.31460   0.95990   1.00000
F1   0.50000   0.50000   0.50000   1.00000
F2   0.42926   0.42926   0.42926   1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.00974 0.00974 0.01303 -0.00507 -0.00454 -0.00454
Ca1 0.00974 0.00974 0.01303 -0.00507 -0.00454 -0.00454
Ca 0.01000 0.01000 0.00873 -0.00393 -0.00417 -0.00417
Ba 0.00886 0.00886 0.00886 -0.00404 -0.00404 -0.00404
P1 0.00924 0.00924 0.00924 -0.00430 -0.00430 -0.00430
P2 0.00722 0.00722 0.00722 -0.00316 -0.00316 -0.00316
P3 0.00722 0.00722 0.00722 -0.00329 -0.00329 -0.00329
O1 0.02152 0.02152 0.02152 -0.01011 -0.01011 -0.01011
O2 0.01279 0.01279 0.00393 -0.00709 -0.00226 -0.00226
O3 0.01367 0.01367 0.00961 -0.00886 -0.00417 -0.00417
O4 0.02913 0.02913 0.02913 -0.01393 -0.01393 -0.01393
O5 0.01772 0.01772 0.01772 -0.00847 -0.00847 -0.00847
O6 0.01810 0.01810 0.00568 -0.00759 -0.00380 -0.00380
F1 0.00886 0.00886 0.00886 -0.00404 -0.00404 -0.00404
F2 0.01608 0.01621 0.01608 -0.00759 -0.00759 -0.00759