Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

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

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CIF Text:


data_global
_chemical_name_mineral 'Fluorophlogopite'
loop_
_publ_author_name
'McCauley J W'
'Newnham R E'
'Gibbs G V'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 249
_journal_page_last 254
_publ_section_title
;
 Crystal structure analysis of synthetic fluorophlogopite
;
_database_code_amcsd 311
_chemical_formula_sum 'K Mg3 (Al Si3) O10 F2'
_cell_length_a 5.308
_cell_length_b 9.183
_cell_length_c 10.139
_cell_angle_alpha 90.0
_cell_angle_beta 100.07
_cell_angle_gamma 90.0
_cell_volume 486.596
_exptl_crystal_density_diffrn  2.875
_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  0.0  0.0  1.0
Mg1   0.0  0.5  0.5  1.0
Mg2   0.0  0.8306  0.5  1.0
Al   0.5751  0.1663  0.2245  0.25
Si   0.5751  0.1663  0.2245  0.75
O1   0.8208  0.2347  0.1682  1.0
O2   0.5274  0.0  0.1678  1.0
O3   0.6291  0.1661  0.3896  1.0
F1   0.1327  0.0  0.4017  1.0
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K   0.03722  0.03204  0.02625  0.0  0.00423  0.0
Mg1   0.0101  0.0047  0.00252  0.00024  0.00026  0.0
Mg2   0.00775  0.00897  0.00707  0.0  0.00317  0.0
Al   0.00969  0.00769  0.01161  2e-05  0.00159  0.00093
Si   0.00969  0.00769  0.01161  2e-05  0.00159  0.00093
O1   0.01605  0.03247  0.01111  -0.00088  3e-05  -0.00464
O2   0.02408  0.01666  0.0106  0.0  -0.00026  0.0
O3   0.00858  0.00769  0.00707  0.00195  0.00238  -0.00093
F1   0.00941  0.00897  0.01616  0.0  0.00264  0.0