data_global
_chemical_name_mineral 'Katophorite'
loop_
_publ_author_name
'Hawthorne F C'
'Oberti R'
'Sardone N'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 577
_journal_page_last 593
_publ_section_title
;
 Sodium at the A site in clinoamphiboles: the effects of composition
 on patterns of order
 Sample: A8 - D167 N.1
;
_database_code_amcsd 0005493
_chemical_formula_sum 'Si7.16 Al1.84 Mg2.34 Fe1.82 Ti.02 Ca1.26 Na1.446 K.036 H1.64 O23.64 F.36'
_cell_length_a 9.775
_cell_length_b 17.928
_cell_length_c 5.313
_cell_angle_alpha 90
_cell_angle_beta 104.69
_cell_angle_gamma 90
_cell_volume 900.648
_exptl_crystal_density_diffrn      3.253
_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
SiT1   0.28100   0.08650   0.30070   0.79000   0.00608
AlT1   0.28100   0.08650   0.30070   0.21000   0.00608
SiT2   0.29230   0.17360   0.81340   1.00000   0.00659
MgM1   0.00000   0.09030   0.50000   0.68000   0.00773
FeM1   0.00000   0.09030   0.50000   0.32000   0.00773
AlM2   0.00000   0.17820   0.00000   0.50000   0.00709
TiM2   0.00000   0.17820   0.00000   0.01000   0.00709
FeM2   0.00000   0.17820   0.00000   0.26000   0.00709
MgM2   0.00000   0.17820   0.00000   0.23000   0.00709
MgM3   0.00000   0.00000   0.00000   0.52000   0.00659
FeM3   0.00000   0.00000   0.00000   0.48000   0.00659
FeM4   0.00000   0.27930   0.50000   0.05000   0.01115
CaM4   0.00000   0.27930   0.50000   0.32000   0.01115
NaM4   0.00000   0.27930   0.50000   0.14000   0.01115
FeM4*   0.00000   0.25350   0.50000   0.04000   0.01305
CaM4*   0.00000   0.25350   0.50000   0.31000   0.01305
NaM4*   0.00000   0.25350   0.50000   0.14000   0.01305
NaAm   0.04440   0.50000   0.09780   0.17900   0.03926
KAm   0.04440   0.50000   0.09780   0.00700   0.03926
NaA2   0.00000   0.47420   0.00000   0.26400   0.04306
KA2   0.00000   0.47420   0.00000   0.01100   0.04306
H   0.17920   0.00000   0.74480   0.82000   0.01077
O1   0.10550   0.09140   0.21110   1.00000   0.01089
O2   0.12010   0.17430   0.74130   1.00000   0.00988
O-h3   0.10950   0.00000   0.71020   0.82000   0.01102
F3   0.10950   0.00000   0.71020   0.18000   0.01102
O4   0.36920   0.25140   0.79330   1.00000   0.01241
O5   0.35280   0.13910   0.10640   1.00000   0.01279
O6   0.34280   0.11790   0.60540   1.00000   0.01343
O7   0.33860   0.00000   0.27860   1.00000   0.01596