data_global
_amcsd_formula_title 'Ga4 Na Nd S8'
loop_
_publ_author_name
'Ibanez R'
'Gravereau P'
'Garcia A'
'Fouassier C'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 73 
_journal_year 1988
_journal_page_first 252
_journal_page_last 258
_publ_section_title
;
 Structural Study of Na Nd Ga4 S8, a Luminescent Material with Low-
 Concentration Quenching
 _cod_database_code 1008365
;
_database_code_amcsd 0016275
_chemical_formula_sum 'Nd Na Ga4 S8'
_cell_length_a 20.122
_cell_length_b 20.143
_cell_length_c 12.142
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4921.364
_exptl_crystal_density_diffrn      3.793
_symmetry_space_group_name_H-M 'F d d d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+x,-y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '3/4+x,3/4+y,-z'
  '3/4+x,1/4+y,1/2-z'
  '1/4+x,3/4+y,1/2-z'
  '1/4+x,1/4+y,-z'
  '3/4-x,3/4-y,z'
  '3/4-x,1/4-y,1/2+z'
  '1/4-x,3/4-y,1/2+z'
  '1/4-x,1/4-y,z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1   0.12500   0.12500   0.12500
Nd2   0.12500   0.12500   0.62500
Na1   0.37850   0.12500   0.12500
Ga1   0.75270   0.48920   0.12540
Ga2   0.74960   0.69520   0.41400
S1   0.00410   0.59330   0.25140
S2   0.75000   0.58210   0.01560
S3   0.58500   0.74700   0.24460
S4   0.91430   0.49770   0.99630
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Nd1 0.01070 0.00480 0.01020 0.00000 0.00000 0.00000
Nd2 0.01310 0.00630 0.01020 0.00000 0.00000 0.00000
Na1 0.01930 0.03180 0.03510 0.00000 0.00000 -0.00320
Ga1 0.01520 0.00670 0.00910 0.00120 0.00030 -0.00070
Ga2 0.01530 0.00650 0.00790 -0.00050 0.00080 -0.00050
S1 0.01790 0.00550 0.01200 -0.00150 0.00360 0.00220
S2 0.01760 0.00470 0.00580 0.00060 0.00010 0.00010
S3 0.01230 0.00930 0.01030 0.00340 0.00170 -0.00170
S4 0.01300 0.00900 0.01190 -0.00050 0.00200 0.00030