Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

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CIF Text:


data_global
_chemical_name_mineral 'Rubicline'
loop_
_publ_author_name
'Gasperin M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27
_journal_year 1971
_journal_page_first 854
_journal_page_last 855
_publ_section_title
;
 Structure cristalline de RbAlSi3O8
 _cod_database_code 1001771
;
_database_code_amcsd 9393
_chemical_formula_sum 'Rb (Al Si3) O8'
_cell_length_a 8.82
_cell_length_b 12.992
_cell_length_c 7.161
_cell_angle_alpha 90.0
_cell_angle_beta 116.4
_cell_angle_gamma 90.0
_cell_volume 734.999
_exptl_crystal_density_diffrn  2.934
_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
Rb1   0.2958  0.0  0.1468  1.0
Al1   0.0104  0.1904  0.2227  0.25
Al2   0.7227  0.1195  0.344  0.25
Si1   0.0104  0.1904  0.2227  0.75
Si2   0.7227  0.1195  0.344  0.75
O1   0.0  0.1525  0.0  1.0
O2   0.664  0.0  0.283  1.0
O3   0.832  0.1596  0.226  1.0
O4   0.0464  0.3145  0.263  1.0
O5   0.1682  0.1283  0.403  1.0