data_global
_chemical_name_mineral 'Fluoro-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(6), magnesio-ferri-fluor-katophorite
;
_database_code_amcsd 0001591
_chemical_compound_source 'Questa caldera, New Mexico'
_chemical_formula_sum 'O22.62 F1.38 (Si7.792 Al.208) Mg2.1 Fe2.14 Ti.04 Mn.54 Zn.02 Li.16 Na1.91 Ca.72 K.211 H.22'
_cell_length_a 9.835
_cell_length_b 17.944
_cell_length_c 5.297
_cell_angle_alpha 90
_cell_angle_beta 103.97
_cell_angle_gamma 90
_cell_volume 907.161
_exptl_crystal_density_diffrn      3.289
_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   0.11190   0.08710   0.21470   1.00000   0.00899
O2   0.11990   0.16990   0.72910   1.00000   0.01039
O3   0.10720   0.00000   0.70980   0.20000   0.01165
O-H3   0.10720   0.00000   0.70980   0.11000   0.01165
F   0.10720   0.00000   0.70980   0.69000   0.01165
O4   0.36340   0.24850   0.79520   1.00000   0.01292
O5   0.34820   0.13020   0.08740   1.00000   0.01203
O6   0.34300   0.11860   0.58520   1.00000   0.01165
O7   0.33850   0.00000   0.29360   1.00000   0.01305
SiT1   0.28050   0.08490   0.29370   0.97400   0.00621
AlT1   0.28050   0.08490   0.29370   0.02600   0.00621
SiT2   0.28910   0.17040   0.80130   0.97400   0.00646
AlT2   0.28910   0.17040   0.80130   0.02600   0.00646
MgM1   0.00000   0.08920   0.50000   0.63500   0.00811
Fe3+M1   0.00000   0.08920   0.50000   0.11000   0.00811
TiM1   0.00000   0.08920   0.50000   0.02000   0.00811
MnM1   0.00000   0.08920   0.50000   0.23500   0.00811
MgM2   0.00000   0.18080   0.00000   0.14000   0.00747
Fe2+M2   0.00000   0.18080   0.00000   0.42500   0.00747
Fe3+M2   0.00000   0.18080   0.00000   0.42500   0.00747
ZnM2   0.00000   0.18080   0.00000   0.01000   0.00747
LiM3   0.00000   0.00000   0.00000   0.16000   0.00963
MgM3   0.00000   0.00000   0.00000   0.55000   0.00963
Fe2+M3   0.00000   0.00000   0.00000   0.16000   0.00963
Fe3+M3   0.00000   0.00000   0.00000   0.06000   0.00963
MnM3   0.00000   0.00000   0.00000   0.07000   0.00963
NaM4   0.00000   0.27610   0.50000   0.64000   0.01684
CaM4   0.00000   0.27610   0.50000   0.36000   0.01684
KA   0.00000   0.50000   0.00000   0.06700   0.09714
NaA   0.00000   0.50000   0.00000   0.20200   0.09714
KAm   0.04290   0.50000   0.09580   0.05500   0.04319
NaAm   0.04290   0.50000   0.09580   0.16400   0.04319
KA2   0.00000   0.47940   0.00000   0.01700   0.05991
NaA2   0.00000   0.47940   0.00000   0.05000   0.05991