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: data is reproduced from Jackson and West (1930)
 Note: Biotite group
;
_database_code_amcsd 25
_chemical_formula_sum 'K Mg3 (Si3 Al) O11 (F H)'
_cell_length_a 5.32
_cell_length_b 9.21
_cell_length_c 20.08
_cell_angle_alpha 90.0
_cell_angle_beta 95.0
_cell_angle_gamma 90.0
_cell_volume 980.12
_exptl_crystal_density_diffrn  2.841
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
K   0.0  0.083  0.25  1.0
Mg1   0.25  0.083  0.0  1.0
Mg2   0.75  0.25  0.0  1.0
Si1   -0.033  -0.25  0.135  0.75
Si2   -0.033  0.417  0.135  0.75
Al1   -0.033  -0.25  0.135  0.25
Al2   -0.033  0.417  0.135  0.25
O1   0.228  0.333  0.164  1.0
O2   0.228  -0.167  0.164  1.0
O3   0.48  0.083  0.164  1.0
O4   -0.062  -0.167  0.055  1.0
O5   -0.062  0.417  0.055  1.0
O-H   -0.062  0.083  0.058  0.5
F   -0.062  0.083  0.058  0.5