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(2), magnesio-ferri-fluor-katophorite
;
_database_code_amcsd 0001587
_chemical_compound_source 'Questa caldera, New Mexico'
_chemical_formula_sum 'O22.64 F1.36 (Si7.6 Al.4) Mg3.16 Fe1.24 Ti.05 Mn.16 Zn.33 Li.06 Na1.469 Ca.95 K.169 H.18'
_cell_length_a 9.808
_cell_length_b 17.993
_cell_length_c 5.284
_cell_angle_alpha 90
_cell_angle_beta 104.54
_cell_angle_gamma 90
_cell_volume 902.630
_exptl_crystal_density_diffrn      3.202
_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   0.11230   0.08660   0.21830   1.00000   0.00912
O2   0.11860   0.16860   0.72720   1.00000   0.00861
O3   0.10340   0.00000   0.71030   0.23000   0.01127
O-H3   0.10340   0.00000   0.71030   0.09000   0.01127
F   0.10340   0.00000   0.71030   0.68000   0.01127
O4   0.36230   0.24940   0.79610   1.00000   0.01089
O5   0.34900   0.13270   0.09450   1.00000   0.01229
O6   0.34550   0.11940   0.58970   1.00000   0.01013
O7   0.34040   0.00000   0.29620   1.00000   0.01330
SiT1   0.28260   0.08460   0.29760   0.95000   0.00608
AlT1   0.28260   0.08460   0.29760   0.05000   0.00608
SiT2   0.28950   0.17060   0.80450   0.95000   0.00608
AlT2   0.28950   0.17060   0.80450   0.05000   0.00608
MgM1   0.00000   0.08460   0.50000   0.73000   0.00912
Fe3+M1   0.00000   0.08460   0.50000   0.20000   0.00912
TiM1   0.00000   0.08460   0.50000   0.02500   0.00912
MnM1   0.00000   0.08460   0.50000   0.04500   0.00912
MgM2   0.00000   0.17950   0.00000   0.43500   0.00773
Fe3+M2   0.00000   0.17950   0.00000   0.40000   0.00773
ZnM2   0.00000   0.17950   0.00000   0.16500   0.00773
LiM3   0.00000   0.00000   0.00000   0.06000   0.00735
MgM3   0.00000   0.00000   0.00000   0.83000   0.00735
Fe3+M3   0.00000   0.00000   0.00000   0.04000   0.00735
MnM3   0.00000   0.00000   0.00000   0.07000   0.00735
NaM4   0.00000   0.27740   0.50000   0.52500   0.01102
CaM4   0.00000   0.27740   0.50000   0.47500   0.01102
KA   0.00000   0.50000   0.00000   0.06900   0.07472
NaA   0.00000   0.50000   0.00000   0.17100   0.07472
KAm   0.04510   0.50000   0.10770   0.03900   0.04863
NaAm   0.04510   0.50000   0.10770   0.09700   0.04863
KA2   0.00000   0.47950   0.00000   0.01100   0.03888
NaA2   0.00000   0.47950   0.00000   0.02700   0.03888