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
_amcsd_formula_title 'Co2SiO4'
loop_
_publ_author_name
'Morimoto N'
'Tokonami M'
'Watanabe M'
'Koto K'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 475
_journal_page_last 485
_publ_section_title
;
 Crystal structures of three polymorphs of Co2SiO4
 olivine
;
_database_code_amcsd 401
_chemical_formula_sum 'Si Co2 O4'
_cell_length_a 4.782
_cell_length_b 10.302
_cell_length_c 6.003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 295.733
_exptl_crystal_density_diffrn  4.715
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.4292  0.0951  0.25
Co1   0.0  0.0  0.0
Co2   0.9917  0.2765  0.25
O1   0.7662  0.0924  0.25
O2   0.2121  0.4504  0.25
O3   0.2835  0.1639  0.0349
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
Si   0.0029  0.00699  0.00602  0.00025  0.0  0.0
Co1   0.0044  0.00807  0.00621  0.00025  -0.00029  -0.00063
Co2   0.00544  0.00699  0.00712  0.00025  0.0  0.0
O1   0.01008  0.00914  0.00748  0.0025  0.0  0.0
O2   0.00985  0.01075  0.00584  -0.0015  0.0  0.0
O3   0.00788  0.00914  0.00767  -0.00025  0.00102  -0.00063