Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Kogarkoite'
loop_
_publ_author_name
'Pabst A'
'Sharp W N'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 116
_journal_page_last 127
_publ_section_title
;
 Kogarkoite, a new natural phase in the system Na2SO4 - NaF - NaCl
;
_database_code_amcsd 305
_chemical_formula_sum 'Na3 S O4 F'
_cell_length_a 4.846
_cell_length_b 4.846
_cell_length_c 4.846
_cell_angle_alpha 91.8
_cell_angle_beta 91.8
_cell_angle_gamma 91.8
_cell_volume 113.63
_exptl_crystal_density_diffrn  2.689
_symmetry_space_group_name_H-M 'R 3 m '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,z,y'
  'z,x,y'
  'y,x,z'
  'y,z,x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.5  0.5  0.0
S   0.496  0.496  0.496
O1   0.315  0.315  0.315
O2   0.671  0.671  0.325
F   0.0  0.0  0.0