data_global
_amcsd_formula_title 'Na(NaMg)Mg5Si8O22(OH)2'
loop_
_publ_author_name
'Iezzi G'
'Gatta G D'
'Kockelmann W'
'Della Ventura G'
'Rinaldi R'
'Schafer W'
'Piccinini M'
'Gaillard F'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2004
_journal_page_first 695
_journal_page_last 700
_publ_section_title
;
 Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic
 amphibole Na(NaMg)Mg5Si8O22(OH)2
 Sample: T = 8 K
;
_database_code_amcsd 0003768
_chemical_formula_sum 'Na1.71 Mg6.13 Si8 O24 (H1.37 D.63)'
_cell_length_a 9.70169
_cell_length_b 17.89537
_cell_length_c 5.25744
_cell_angle_alpha 90
_cell_angle_beta 102.597
_cell_angle_gamma 90
_cell_volume 890.800
_exptl_crystal_density_diffrn      2.981
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-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
NaA   0.26461   0.25000   0.06038   0.83000   0.00688
MgA   0.26461   0.25000   0.06038   0.07000   0.00688
Mg1  -0.24280   0.33860   0.48952   1.00000   0.00688
Mg2  -0.25451   0.43158   0.97520   1.00000   0.00688
Mg3  -0.25442   0.25000   0.95277   1.00000   0.00688
Mg4  -0.24565   0.50741   0.48160   0.37000   0.00688
Na4  -0.24565   0.50741   0.48160   0.31000   0.00688
Mg4*  -0.27291   0.52696   0.50151   0.16000   0.00688
Na4*  -0.27291   0.52696   0.50151   0.13000   0.00688
Si1A   0.03609   0.33535   0.25812   1.00000   0.00328
Si1B   0.53071   0.83565   0.30186   1.00000   0.00328
Si2A   0.03892   0.42099   0.76004   1.00000   0.00328
Si2B   0.54552   0.91791   0.80965   1.00000   0.00328
O1A  -0.13735   0.33691   0.19646   1.00000   0.00357
O1B   0.36675   0.83608   0.22068   1.00000   0.00357
O2A  -0.13335   0.42242   0.70321   1.00000   0.00357
O2B   0.37525   0.91974   0.74919   1.00000   0.00357
O3A  -0.15111   0.25000   0.70244   1.00000   0.00357
O3B   0.35997   0.75000   0.71712   1.00000   0.00357
O4A   0.11908   0.49933   0.80839   1.00000   0.00357
O4B   0.63160   0.99345   0.77154   1.00000   0.00357
O5A   0.09694   0.36393   0.01295   1.00000   0.00357
O5B   0.60373   0.88605   0.10438   1.00000   0.00357
O6A   0.09837   0.38166   0.52814   1.00000   0.00357
O6B   0.59421   0.85628   0.61049   1.00000   0.00357
O7A   0.08616   0.25000   0.30292   1.00000   0.00357
O7B   0.58935   0.75000   0.26556   1.00000   0.00357
H1  -0.04591   0.25000   0.75809   0.71000   0.00688
D1  -0.04591   0.25000   0.75809   0.29000   0.00688
H2   0.53612   0.25000   0.21111   0.66000   0.00688
D2   0.53612   0.25000   0.21111   0.34000   0.00688