data_global
_chemical_name_mineral 'Fluoro-oxy-ferri-magnesiokatophorite'
loop_
_publ_author_name
'Hawthorne F C'
'Ungaretti L'
'Oberti R'
'Bottazzi P'
'Czamanske G K'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 733
_journal_page_last 745
_publ_section_title
;
 Li: an important component in igneous alkali amphiboles
 Sample: A(1), magnesio-ferri-fluor-oxy-katophorite
;
_database_code_amcsd 0001586
_chemical_compound_source 'Questa caldera, New Mexico'
_chemical_formula_sum 'O22.6 F1.4 (Si7.584 Al.416) Mg3.24 Fe1.22 Ti.05 Mn.43 Li.06 Na2.104 Ca.25 K.148'
_cell_length_a 9.795
_cell_length_b 17.993
_cell_length_c 5.280
_cell_angle_alpha 90
_cell_angle_beta 104.53
_cell_angle_gamma 90
_cell_volume 900.792
_exptl_crystal_density_diffrn      3.133
_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
O1   0.11250   0.08600   0.21850   1.00000   0.00735
O2   0.11830   0.16840   0.72570   1.00000   0.00887
O3   0.10280   0.00000   0.71210   0.30000   0.01127
F   0.10280   0.00000   0.71210   0.70000   0.01127
O4   0.36250   0.24940   0.79500   1.00000   0.01178
O5   0.34920   0.13340   0.09470   1.00000   0.01178
O6   0.34600   0.11980   0.58860   1.00000   0.01026
O7   0.34140   0.00000   0.29560   1.00000   0.01229
SiT1   0.28340   0.08450   0.29730   0.94800   0.00595
AlT1   0.28340   0.08450   0.29730   0.05200   0.00595
SiT2   0.28960   0.17080   0.80410   0.94800   0.00583
AlT2   0.28960   0.17080   0.80410   0.05200   0.00583
MgM1   0.00000   0.08390   0.50000   0.64000   0.01039
Fe3+M1   0.00000   0.08390   0.50000   0.26500   0.01039
TiM1   0.00000   0.08390   0.50000   0.02500   0.01039
MnM1   0.00000   0.08390   0.50000   0.07000   0.01039
MgM2   0.00000   0.17920   0.00000   0.59500   0.00773
Fe3+M2   0.00000   0.17920   0.00000   0.27500   0.00773
MnM2   0.00000   0.17920   0.00000   0.13000   0.00773
LiM3   0.00000   0.00000   0.00000   0.06000   0.00633
MgM3   0.00000   0.00000   0.00000   0.77000   0.00633
Fe3+M3   0.00000   0.00000   0.00000   0.14000   0.00633
MnM3   0.00000   0.00000   0.00000   0.03000   0.00633
NaM4   0.00000   0.27670   0.50000   0.87500   0.01305
CaM4   0.00000   0.27670   0.50000   0.12500   0.01305
KA   0.00000   0.50000   0.00000   0.06800   0.08840
NaA   0.00000   0.50000   0.00000   0.16400   0.08840
KAm   0.04690   0.50000   0.11170   0.02900   0.04559
NaAm   0.04690   0.50000   0.11170   0.06900   0.04559
KA2   0.00000   0.48330   0.00000   0.01100   0.05015
NaA2   0.00000   0.48330   0.00000   0.02600   0.05015