data_global
_amcsd_formula_title 'CsAlSiO4'
loop_
_publ_author_name
'Gatta G D'
'Rotiroti N'
'Zanazzi P F'
'Rieder M'
'Drabek M'
'Weiss Z'
'Klaska R'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 988
_journal_page_last 995
_publ_section_title
;
 Synthesis and crystal structure of the feldspathoid CsAlSiO4: An
 open-framework silicate and potential nuclear waste disposal phase
;
_database_code_amcsd 0004598
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cs Si Al O4'
_cell_length_a 9.414
_cell_length_b 5.435
_cell_length_c 8.875
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 454.090
_exptl_crystal_density_diffrn      3.686
_symmetry_space_group_name_H-M 'P c 21 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cs   0.20052   0.50015   0.50043   0.01591
Si   0.08469   0.00040   0.19052   0.00470
Al   0.41511  -0.00360   0.31650   0.00410
O1   0.08770  -0.00470   0.01040   0.01610
O2   0.00240  -0.24130   0.25020   0.01100
O3   0.00400   0.24040   0.25510   0.02000
O4   0.24370   0.00340   0.25360   0.02410
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
Cs 0.01750 0.01460 0.01570 0.00140 0.00023 0.00001
Si 0.00560 0.00340 0.00520 -0.00210 -0.00050 0.00180
Al 0.00470 0.00230 0.00530 0.00060 -0.00030 -0.00080
O1 0.03200 0.01300 0.00350 0.00300 0.00170 0.00100
O2 0.01500 0.01200 0.00700 -0.00500 -0.00700 0.00300
O3 0.03400 0.01300 0.01200 -0.00300 0.00800 0.00300
O4 0.01000 0.03400 0.02800 0.00100 -0.00560 -0.00900