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 'Phlogopite'
loop_
_publ_author_name
'Hendricks S B'
'Jefferson M E'
_journal_name_full 'American Mineralogist'
_journal_volume 24
_journal_year 1939
_journal_page_first 729
_journal_page_last 771
_publ_section_title
;
 Polymorphism of the micas with optical measurements
 Note: Biotite group
;
_database_code_amcsd 26
_chemical_formula_sum 'K Mg3 (Si3 Al) O11 (F H)'
_cell_length_a 5.3
_cell_length_b 5.3
_cell_length_c 30.0
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 729.8
_exptl_crystal_density_diffrn  2.862
_symmetry_space_group_name_H-M 'P 31 1 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,y,1/3-z'
  '-y,x-y,1/3+z'
  '-y,-x,2/3-z'
  '-x+y,-x,2/3+z'
  'x,x-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K   0.11111  0.0556  0.0  1.0
Mg1   0.11111  0.22222  0.16667  1.0
Mg3   -0.22222  -0.44444  0.16667  1.0
Mg3   0.44444  0.88889  0.16667  1.0
Si1   -0.22  0.22  0.078  0.75
Si2   0.44  -0.44  0.078  0.75
Al1   -0.22  0.22  0.078  0.25
Al2   0.44  -0.44  0.078  0.25
O1   0.11  0.39  0.06  1.0
O2   -0.39  -0.11  0.06  1.0
O3   -0.39  0.39  0.06  1.0
O4   -0.22  0.22  0.13  1.0
O5   0.44  -0.44  0.13  1.0
O-H   0.11  -0.11  0.13  0.5
F   0.11  -0.11  0.13  0.5