data_global
_chemical_name_mineral '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: A3 - Q95 N.32
;
_database_code_amcsd 0005488
_chemical_formula_sum 'Si7.44 Al1.94 Mg2.7 Fe.96 Ti.04 Ca.4 Na2.266 K.042 H1.78 O23.78 F.22'
_cell_length_a 9.678
_cell_length_b 17.772
_cell_length_c 5.310
_cell_angle_alpha 90
_cell_angle_beta 104.21
_cell_angle_gamma 90
_cell_volume 885.361
_exptl_crystal_density_diffrn      3.146
_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   0.28200   0.08740   0.29800   0.86000   0.00557
AlT1   0.28200   0.08740   0.29800   0.14000   0.00557
SiT2   0.29170   0.17370   0.81150   1.00000   0.00583
MgM1   0.00000   0.09040   0.50000   0.93000   0.00684
FeM1   0.00000   0.09040   0.50000   0.07000   0.00684
AlM2   0.00000   0.17960   0.00000   0.69000   0.00659
TiM2   0.00000   0.17960   0.00000   0.02000   0.00659
FeM2   0.00000   0.17960   0.00000   0.28000   0.00659
MgM2   0.00000   0.17960   0.00000   0.01000   0.00659
MgM3   0.00000   0.00000   0.00000   0.82000   0.00709
FeM3   0.00000   0.00000   0.00000   0.18000   0.00709
FeM4   0.00000   0.27860   0.50000   0.04000   0.01241
CaM4   0.00000   0.27860   0.50000   0.20000   0.01241
NaM4   0.00000   0.27860   0.50000   0.76000   0.01241
NaAm   0.04920   0.50000   0.11260   0.12700   0.03572
KAm   0.04920   0.50000   0.11260   0.00700   0.03572
NaA2   0.00000   0.47890   0.00000   0.24600   0.04547
KA2   0.00000   0.47890   0.00000   0.01400   0.04547
H   0.19840   0.00000   0.75130   0.89000   0.02976
O1   0.10640   0.09160   0.20860   1.00000   0.00811
O2   0.11810   0.17240   0.74460   1.00000   0.00785
O-h3   0.10960   0.00000   0.70800   0.89000   0.00836
F3   0.10960   0.00000   0.70800   0.11000   0.00836
O4   0.36750   0.25300   0.80030   1.00000   0.00988
O5   0.35460   0.13550   0.09690   1.00000   0.01254
O6   0.34140   0.11960   0.59690   1.00000   0.01178
O7   0.33730   0.00000   0.28710   1.00000   0.01431