data_global
_chemical_name_mineral 'Fluoro-nyboite'
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: A2 - DJ102 N.4
;
_database_code_amcsd 0005487
_chemical_formula_sum 'Ca.48 Na2.364 Mg2.42 Fe1.44 Al1.6 Ti.02 Si7.52 K.026 H.84 O22.84 F1.16'
_cell_length_a 9.673
_cell_length_b 17.817
_cell_length_c 5.315
_cell_angle_alpha 90
_cell_angle_beta 104.08
_cell_angle_gamma 90
_cell_volume 888.488
_exptl_crystal_density_diffrn      3.205
_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
CaM4   0.00000   0.27810   0.50000   0.24000   0.01229
NaM4   0.00000   0.27810   0.50000   0.76000   0.01229
MgM1   0.00000   0.09080   0.50000   0.77000   0.00735
FeM1   0.00000   0.09080   0.50000   0.23000   0.00735
AlM2   0.00000   0.17980   0.00000   0.56000   0.00722
TiM2   0.00000   0.17980   0.00000   0.01000   0.00722
FeM2   0.00000   0.17980   0.00000   0.33000   0.00722
MgM2   0.00000   0.17980   0.00000   0.10000   0.00722
MgM3   0.00000   0.00000   0.00000   0.68000   0.00747
FeM3   0.00000   0.00000   0.00000   0.32000   0.00747
SiT1   0.28260   0.08690   0.29660   0.88000   0.00633
AlT1   0.28260   0.08690   0.29660   0.12000   0.00633
SiT2   0.29170   0.17320   0.80940   1.00000   0.00659
NaAm   0.05520   0.50000   0.11860   0.24900   0.03648
KAm   0.05520   0.50000   0.11860   0.00800   0.03648
NaA2   0.00000   0.48290   0.00000   0.17300   0.06586
KA2   0.00000   0.48290   0.00000   0.00500   0.06586
H   0.20310   0.00000   0.76500   0.42000   0.01545
O1   0.10770   0.09080   0.20910   1.00000   0.00963
O2   0.11850   0.17190   0.74290   1.00000   0.00937
O-h3   0.10900   0.00000   0.70630   0.42000   0.01216
F3   0.10900   0.00000   0.70630   0.58000   0.01216
O4   0.36670   0.25260   0.79990   1.00000   0.01102
O5   0.35430   0.13400   0.09360   1.00000   0.01343
O6   0.34240   0.12030   0.59250   1.00000   0.01191
O7   0.33920   0.00000   0.29070   1.00000   0.01482