data_global
_chemical_name_mineral 'Lavenite'
loop_
_publ_author_name
'Simonov V I'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 130 
_journal_year 1960
_journal_page_first 1333
_journal_page_last 1336
_publ_section_title
;
 Crystal structure of lavenite
;
_database_code_amcsd 0018913
_chemical_compound_source 'the Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na1.25 Ca.99 Mn.33 Fe.31 Nb.09 Zr.73 Ti.26 Si2 O8 F'
_cell_length_a 10.540
_cell_length_b 9.90
_cell_length_c 7.14
_cell_angle_alpha 90
_cell_angle_beta 108.20
_cell_angle_gamma 90
_cell_volume 707.758
_exptl_crystal_density_diffrn      3.702
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-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
Na   0.42500   0.37600   0.34300   1.00000   0.01102
Ca   0.30400   0.10500   0.52500   0.75000   0.01102
Na   0.30400   0.10500   0.52500   0.25000   0.01102
Mn   0.23700   0.37600   0.85600   0.33000   0.01102
Fe   0.23700   0.37600   0.85600   0.31000   0.01102
Ca   0.23700   0.37600   0.85600   0.24000   0.01102
Nb   0.23700   0.37600   0.85600   0.09000   0.01102
Zr   0.29400   0.10500   0.02400   0.73000   0.01102
Ti   0.29400   0.10500   0.02400   0.26000   0.01102
Si1   0.12300   0.33100   0.22300   1.00000   0.01102
Si2   0.11700   0.33100   0.66700   1.00000   0.01102
O1   0.13000   0.33100   0.44300   1.00000   0.01710
O2   0.23800   0.24100   0.19700   1.00000   0.01710
O3   0.25000   0.24100   0.80000   1.00000   0.01710
O4   0.16300   0.48300   0.18000   1.00000   0.01710
O5   0.12200   0.48300   0.75000   1.00000   0.01710
O6   0.48000   0.22300   0.09800   1.00000   0.01710
O7   0.48400   0.23900   0.67000   1.00000   0.01710
O8   0.11900   0.01000   0.95400   1.00000   0.01710
F   0.12000   0.00500   0.42300   1.00000   0.01710