data_global
_chemical_name_mineral 'Deloneite'
loop_
_publ_author_name
'Rastsvetaeva R F'
'Khomyakov A P'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 349 
_journal_year 1996
_journal_page_first 354
_journal_page_last 357
_publ_section_title
;
 Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite
;
_database_code_amcsd 0012491
_chemical_formula_sum 'Na1.999 Ca3.548 Sr2.301 Ce1.299 La.6 Nd.25 P5.799 Si.201 O24.63 F1.41 H.63'
_cell_length_a 9.51
_cell_length_b 9.51
_cell_length_c 7.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 549.047
_exptl_crystal_density_diffrn      7.851
_symmetry_space_group_name_H-M 'P -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-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
Na1   0.33333   0.66667  -0.02060   0.50000   0.02533
Ca1   0.33333   0.66667  -0.02060   0.20000   0.02533
Sr1   0.01580   0.25550   0.24130   0.76700   0.02482
Ce1   0.66667   0.33333  -0.01240   0.15000   0.03014
La1   0.33333   0.66667  -0.02060   0.30000   0.02533
Na2   0.33333   0.66667   0.50020   0.50000   0.02786
Nd1   0.33333   0.66667   0.50020   0.25000   0.02786
Ca2   0.33333   0.66667   0.50020   0.25000   0.02786
Ca3   0.66667   0.33333  -0.01240   0.70000   0.03014
La2   0.66667   0.33333  -0.01240   0.15000   0.03014
Ca4   0.66667   0.33333   0.49050   0.70000   0.02913
La3   0.66667   0.33333   0.49050   0.15000   0.02913
Ce2   0.66667   0.33333   0.49050   0.15000   0.02913
Ca5   0.01580   0.25550   0.24130   0.23300   0.02482
Na3   0.24550   0.23360   0.74220   0.33300   0.02280
Ce3   0.24550   0.23360   0.74220   0.33300   0.02280
Ca6   0.24550   0.23360   0.74220   0.33300   0.02280
P1   0.63390   0.02940   0.23760   1.00000   0.01418
P2   0.02760   0.40340   0.73810   0.93300   0.01811
Si1   0.02760   0.40340   0.73810   0.06700   0.01811
O1   0.12500   0.59100   0.74400   1.00000   0.01393
O2   0.49900   0.16100   0.73100   1.00000   0.03166
O3   0.32600   0.26300   0.07300   1.00000   0.05953
O4   0.32800   0.26200   0.40600   1.00000   0.04686
O5   0.09600   0.35200   0.91100   1.00000   0.01646
O6   0.09500   0.35200   0.56200   1.00000   0.01646
O7   0.15200   0.68100   0.23300   1.00000   0.01520
O8   0.57300   0.45800   0.23900   1.00000   0.03926
F1   0.00000   0.00000   0.24600   1.00000   0.01140
F2   0.00000   0.00000   0.82000   0.41000   0.04053
O-H9   0.00000   0.00000   0.55800   0.32000   0.05066
O-H10   0.00000   0.00000   0.62500   0.31000   0.04559