data_global
_chemical_name_mineral 'Ferri-fluoro-leakeite'
loop_
_publ_author_name
'Oberti R'
'Boiocchi M'
'Hawthorne F C'
'Kristiansen R'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 78 
_journal_year 2014
_journal_page_first 861
_journal_page_last 869
_publ_section_title
;
 Ferri-fluoro-leakeite: a second occurrence at Bratthagen (Norway), with new
 data on Zn partitioning and the oxo component in Na amphiboles
;
_database_code_amcsd 0020505
_chemical_compound_source 'Bratthagen nepheline syenite pegmatite, Vestfold County, Norway'
_chemical_formula_sum 'Na2.67 K.32 Mg1.69 Fe1.74 Mn.26 Zn.29 Al.23 Ti.02 Li.78 Si8 O22.41 (F1.59 H.41)'
_cell_length_a 9.7879
_cell_length_b 17.8263
_cell_length_c 5.2822
_cell_angle_alpha 90
_cell_angle_beta 104.195
_cell_angle_gamma 90
_cell_volume 893.508
_exptl_crystal_density_diffrn      3.240
_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
_atom_site_U_iso_or_equiv
NaA   0.00000   0.50000   0.00000   0.22670   0.02850
KA   0.00000   0.50000   0.00000   0.10670   0.02850
NaAm   0.03800   0.50000   0.08142   0.22670   0.02533
KAm   0.03800   0.50000   0.08142   0.10670   0.02533
MgM1   0.00000   0.08684   0.50000   0.75500   0.01064
FeM1   0.00000   0.08684   0.50000   0.11000   0.01064
MnM1   0.00000   0.08684   0.50000   0.10500   0.01064
ZnM1   0.00000   0.08684   0.50000   0.03000   0.01064
ZnM2   0.00000   0.17950   0.00000   0.11500   0.00836
Fe2+M2   0.00000   0.17950   0.00000   0.01000   0.00836
Fe3+M2   0.00000   0.17950   0.00000   0.75000   0.00836
AlM2   0.00000   0.17950   0.00000   0.11500   0.00836
TiM2   0.00000   0.17950   0.00000   0.01000   0.00836
LiM3   0.00000   0.00000   0.00000   0.78000   0.01178
MgM3   0.00000   0.00000   0.00000   0.18000   0.01178
MnM3   0.00000   0.00000   0.00000   0.04000   0.01178
NaM4   0.00000   0.27692   0.50000   0.99500   0.01798
MnM4   0.00000   0.27692   0.50000   0.00500   0.01798
SiT1   0.27835   0.08608   0.29590   1.00000   0.00785
SiT2   0.28890   0.17125   0.80506   1.00000   0.00773
O1   0.10999   0.09052   0.21480   1.00000   0.00975
O2   0.11870   0.16982   0.73519   1.00000   0.00963
O3   0.11156   0.00000   0.69993   1.00000   0.01520
O4   0.36408   0.25057   0.80404   1.00000   0.01203
O5   0.35024   0.12889   0.08870   1.00000   0.01115
O6   0.34317   0.11995   0.58672   1.00000   0.01115
F7   0.33512   0.00000   0.30177   0.79500   0.01330
O-H7   0.33512   0.00000   0.30177   0.20500   0.01330
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
NaA 0.03056 0.03381 0.02976 0.00000 0.02412 0.00000
KA 0.03056 0.03381 0.02976 0.00000 0.02412 0.00000
NaAm 0.03512 0.02254 0.02790 0.00000 0.02437 0.00000
KAm 0.03512 0.02254 0.02790 0.00000 0.02437 0.00000
MgM1 0.01186 0.01127 0.00930 0.00000 0.00369 0.00000
FeM1 0.01186 0.01127 0.00930 0.00000 0.00369 0.00000
MnM1 0.01186 0.01127 0.00930 0.00000 0.00369 0.00000
ZnM1 0.01186 0.01127 0.00930 0.00000 0.00369 0.00000
ZnM2 0.00912 0.00805 0.00784 0.00000 0.00246 0.00000
Fe2+M2 0.00912 0.00805 0.00784 0.00000 0.00246 0.00000
Fe3+M2 0.00912 0.00805 0.00784 0.00000 0.00246 0.00000
AlM2 0.00912 0.00805 0.00784 0.00000 0.00246 0.00000
TiM2 0.00912 0.00805 0.00784 0.00000 0.00246 0.00000
LiM3 0.01323 0.00966 0.01182 0.00000 0.00222 0.00000
MgM3 0.01323 0.00966 0.01182 0.00000 0.00222 0.00000
MnM3 0.01323 0.00966 0.01182 0.00000 0.00222 0.00000
NaM4 0.02144 0.01610 0.01979 0.00000 0.01157 0.00000
MnM4 0.02144 0.01610 0.01979 0.00000 0.01157 0.00000
SiT1 0.00912 0.00805 0.00731 0.00000 0.00246 -0.00046
SiT2 0.00821 0.00805 0.00664 -0.00086 0.00222 -0.00046
O1 0.00821 0.01127 0.00957 -0.00086 0.00222 0.00046
O2 0.00912 0.01288 0.00797 -0.00086 0.00222 -0.00046
O3 0.01597 0.01449 0.01475 0.00000 0.00148 0.00000
O4 0.01460 0.00966 0.01182 -0.00428 0.00345 0.00000
O5 0.01095 0.01449 0.00850 0.00000 0.00320 0.00370
O6 0.01095 0.01449 0.00890 0.00000 0.00295 -0.00324
F7 0.01414 0.00805 0.01754 0.00000 0.00271 0.00000
O-H7 0.01414 0.00805 0.01754 0.00000 0.00271 0.00000