data_global
_amcsd_formula_title 'NaAl2(AlSi3)O11'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 27 
_journal_year 2000
_journal_page_first 377
_journal_page_last 385
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample: Dehydroxylate phase at T = 25 C
;
_database_code_amcsd 0008411
_chemical_formula_sum 'Na Al3 Si3 O11'
_cell_length_a 5.182
_cell_length_b 9.117
_cell_length_c 19.550
_cell_angle_alpha 90
_cell_angle_beta 92.70
_cell_angle_gamma 90
_cell_volume 922.601
_exptl_crystal_density_diffrn      2.622
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
Na   0.00000   0.09090   0.25000   1.00000   0.08200
AlM2   0.27740   0.09370   0.00020   1.00000   0.02280
AlT1   0.94140   0.43080   0.14150   0.25000   0.02320
SiT1   0.94140   0.43080   0.14150   0.75000   0.02320
AlT2   0.41920   0.25470   0.14140   0.25000   0.02500
SiT2   0.41920   0.25470   0.14140   0.75000   0.02500
O1   0.97840   0.46160   0.05860   1.00000   0.02500
O2   0.33600   0.24430   0.05850   1.00000   0.02700
O3   0.36740   0.09090   0.17550   1.00000   0.03000
O4   0.72120   0.30530   0.15740   1.00000   0.03400
O5   0.22300   0.37460   0.17690   1.00000   0.03000
Or   0.00000   0.00000   0.00000   1.00000   0.05500