data_global
_chemical_name_mineral 'Lileyite'
loop_
_publ_author_name
'Chukanov N V'
'Pekov I V'
'Rastsvetaeva R K'
'Aksenov S M'
'Zadov A E'
'Van K V'
'Blass G'
'Schuller W'
'Ternes B'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 181
_journal_page_last 188
_publ_section_title
;
 Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group
 mineral from the Eifel volcanic area, Germany
;
_database_code_amcsd 0018776
_chemical_compound_source 'Lohley quarry, Rhineland-Palatinate, Germany'
_chemical_formula_sum '(Ba1.5 K.3 Sr.2) Na1.9 Ca.4 Fe.6 Mn.2 Mg.8 Ti2 Nb.1 Si4 O16.4 F1.6'
_cell_length_a 19.905
_cell_length_b 7.098
_cell_length_c 5.405
_cell_angle_alpha 90
_cell_angle_beta 96.349
_cell_angle_gamma 90
_cell_volume 758.966
_exptl_crystal_density_diffrn      3.803
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba   0.28270   0.00000   0.26230   0.75000
K   0.28270   0.00000   0.26230   0.15000
Sr   0.28270   0.00000   0.26230   0.10000
Na1   0.00000   0.00000   0.00000   1.00000
Na2   0.00000   0.25940   0.50000   0.45000
Ca2   0.00000   0.25940   0.50000   0.20000
Fe2   0.00000   0.25940   0.50000   0.25000
Mn2   0.00000   0.25940   0.50000   0.10000
Mg   0.00000   0.50000   0.00000   0.80000
Fe   0.00000   0.50000   0.00000   0.10000
Ti   0.00000   0.50000   0.00000   0.10000
Ti   0.14580   0.00000   0.70680   0.95000
Nb   0.14580   0.00000   0.70680   0.05000
Si   0.13860   0.28190   0.20410   1.00000
O1   0.17130   0.18890   0.46570   1.00000
O2   0.17150   0.18760   0.97140   1.00000
O3   0.16960   0.50000   0.21640   1.00000
O4   0.05790   0.28670   0.17350   1.00000
O5   0.06040   0.00000   0.66710   1.00000
F   0.44430   0.00000   0.28480   0.80000
OF   0.44430   0.00000   0.28480   0.20000
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
Ba 0.01464 0.00940 0.00941 0.00000 0.00095 0.00000
K 0.01464 0.00940 0.00941 0.00000 0.00095 0.00000
Sr 0.01464 0.00940 0.00941 0.00000 0.00095 0.00000
Na1 0.01130 0.00920 0.00800 0.00000 0.00480 0.00000
Na2 0.01920 0.01740 0.01440 0.00000 0.00490 0.00000
Ca2 0.01920 0.01740 0.01440 0.00000 0.00490 0.00000
Fe2 0.01920 0.01740 0.01440 0.00000 0.00490 0.00000
Mn2 0.01920 0.01740 0.01440 0.00000 0.00490 0.00000
Mg 0.01130 0.00160 0.01510 0.00000 -0.01100 0.00000
Fe 0.01130 0.00160 0.01510 0.00000 -0.01100 0.00000
Ti 0.01130 0.00160 0.01510 0.00000 -0.01100 0.00000
Ti 0.00979 0.00761 0.00630 0.00000 0.00066 0.00000
Nb 0.00979 0.00761 0.00630 0.00000 0.00066 0.00000
Si 0.00874 0.00533 0.00624 0.00007 0.00052 -0.00028
O1 0.01640 0.00820 0.00740 -0.00050 0.00080 0.00190
O2 0.01680 0.00780 0.00840 -0.00010 0.00230 -0.00250
O3 0.01370 0.00490 0.01070 0.00000 0.00060 0.00000
O4 0.00850 0.01520 0.01960 0.00020 -0.00040 -0.00160
O5 0.01180 0.03430 0.01340 0.00000 0.00040 0.00000
F 0.02210 0.03210 0.02410 0.00000 0.00540 0.00000
OF 0.02210 0.03210 0.02410 0.00000 0.00540 0.00000