data_global
_chemical_name_mineral 'Buddingtonite'
loop_
_publ_author_name
'Mookherjee M'
'Redfern S A T'
'Swainson I'
'Harlov D E'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 31 
_journal_year 2004
_journal_page_first 643
_journal_page_last 649
_publ_section_title
;
 Low-temperature behaviour of ammonium ion in buddingtonite
 [N(D/H)4AlSi3O8] from neutron powder diffraction
 Sample: T = 11 K
;
_database_code_amcsd 0008919
_chemical_formula_sum 'N D4 (Al Si3) O8'
_cell_length_a 8.79182
_cell_length_b 13.11084
_cell_length_c 7.20473
_cell_angle_alpha 90
_cell_angle_beta 116.097
_cell_angle_gamma 90
_cell_volume 745.809
_exptl_crystal_density_diffrn      2.327
_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
N   0.29030   0.00000   0.14240   1.00000   0.01452
D1   0.41470   0.01900   0.20660   0.50000   0.03999
D2   0.26140  -0.03110   0.25180   0.50000   0.03999
D3   0.26590  -0.05130   0.02750   0.50000   0.03999
D4   0.21910   0.06340   0.08380   0.50000   0.03999
Al1   0.70700   0.11790   0.34470   0.25000   0.00056
Si1   0.70700   0.11790   0.34470   0.75000   0.00056
Al2   0.01670   0.18810   0.23470   0.25000   0.00243
Si2   0.01670   0.18810   0.23470   0.75000   0.00243
O1   0.00000   0.15800   0.00000   1.00000  -0.00506
O2   0.66070   0.00000   0.29500   1.00000  -0.00506
O3   0.82740   0.15870   0.22520   1.00000  -0.00506
O4   0.03990   0.31230   0.26240   1.00000  -0.00506
O5   0.17130   0.12600   0.40710   1.00000  -0.00506