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
'Steinfink H'
_journal_name_full 'American Mineralogist'
_journal_volume 47
_journal_year 1962
_journal_page_first 886
_journal_page_last 889
_publ_section_title
;
 Crystal structure of a trioctahedral mica: Phlogopite
;
_database_code_amcsd 114
_chemical_formula_sum '(K.9 Mn.1) Mg3 (Si3 Fe) O12 H2'
_cell_length_a 5.36
_cell_length_b 9.29
_cell_length_c 10.41
_cell_angle_alpha 90.0
_cell_angle_beta 100.0
_cell_angle_gamma 90.0
_cell_volume 510.485
_exptl_crystal_density_diffrn  2.913
_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
_atom_site_U_iso_or_equiv
K   0.0  0.0  0.0  0.9  0.02812
Mn   0.0  0.0  0.0  0.1  0.02812
Mg1   0.0  0.5  0.5  1.0  0.0176
Mg2   0.0  0.8333  0.5  1.0  0.0176
Si   0.5766  0.1679  0.2261  0.75  0.03065
Fe   0.5766  0.1679  0.2261  0.25  0.03458
O1   0.8338  0.2229  0.1692  1.0  0.03534
O2   0.6273  0.1682  0.39  1.0  0.03534
O3   0.4963  0.0  0.17  1.0  0.03534
O-H4   0.1354  0.0  0.3955  1.0  0.03534
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]