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 'Osumilite'
loop_
_publ_author_name
'Miyashiro A'
_journal_name_full 'American Mineralogist'
_journal_volume 41
_journal_year 1956
_journal_page_first 104
_journal_page_last 116
_publ_section_title
;
 Osumilite, a new silicate mineral, and its crystal structure
;
_database_code_amcsd 78
_chemical_formula_sum 'K.32 Na.35 Ca.12 Mg1.48 Fe1.57 Al4.95 Si9 O30 H'
_cell_length_a 10.17
_cell_length_b 10.17
_cell_length_c 14.34
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 1284.463
_exptl_crystal_density_diffrn  2.628
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-y,1/2-z'
  '-x,-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  0.25  0.32
Na   0.0  0.0  0.25  0.35
Ca   0.0  0.0  0.25  0.12
Mg   0.333333  0.666667  0.25  0.74
Fe1   0.333333  0.666667  0.25  0.26
Al   0.5  0.0  0.25  0.65
Fe2   0.5  0.0  0.25  0.35
Si   0.1  0.35  0.11  0.75
Al   0.1  0.35  0.11  0.25
O1   0.13  0.42  0.0  1.0
O2   0.21  0.29  0.12  1.0
O3   0.13  0.47  0.17  1.0
H2O   0.0  0.0  0.0  1.0