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
'Pabst A'
_journal_name_full 'American Mineralogist'
_journal_volume 40
_journal_year 1955
_journal_page_first 967
_journal_page_last 974
_publ_section_title
;
 Redescription of the single layer structure of the micas
;
_database_code_amcsd 77
_chemical_formula_sum 'K Mg3 (Si3 Al) O12 H2'
_cell_length_a 5.32
_cell_length_b 9.21
_cell_length_c 10.16
_cell_angle_alpha 90.0
_cell_angle_beta 100.03
_cell_angle_gamma 90.0
_cell_volume 490.203
_exptl_crystal_density_diffrn  2.827
_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
K   0.0  0.5  0.0  1.0
Mg1   0.0  0.0  0.5  1.0
Mg2   0.0  0.33  0.5  1.0
Si   0.575  0.33  0.22  0.75
Al   0.575  0.33  0.22  0.25
O1   0.055  0.0  0.16  1.0
O2   0.805  0.25  0.16  1.0
O3   0.63  0.33  0.38  1.0
O-H   0.63  0.0  0.38  1.0