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 'Olivine'
loop_
_publ_author_name
'Miyake M'
'Nakamura H'
'Kojima H'
'Marumo F'
_journal_name_full 'American Mineralogist'
_journal_volume 72
_journal_year 1987
_journal_page_first 594
_journal_page_last 598
_publ_section_title
;
 Cation ordering in Co-Mg olivine solid-solution series
 Sample: Co20
;
_database_code_amcsd 1091
_chemical_formula_sum 'Co2 Si O4'
_cell_length_a 4.781
_cell_length_b 10.296
_cell_length_c 5.998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 295.253
_exptl_crystal_density_diffrn  4.723
_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
Co1   0.0  0.0  0.0
Co2   0.9912  0.2765  0.25
Si   0.4283  0.0949  0.25
O1   0.7675  0.0918  0.25
O2   0.2158  0.4486  0.25
O3   0.2818  0.1641  0.0339
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
Co1   0.0048  0.0068  0.005  0.0  -0.0006  -0.001
Co2   0.0058  0.0051  0.0055  0.0001  0.0  0.0
Si   0.0035  0.0049  0.0044  0.0001  0.0  0.0
O1   0.0046  0.0064  0.0062  0.0  0.0  0.0
O2   0.0062  0.0052  0.0069  0.0004  0.0  0.0
O3   0.0063  0.0079  0.0057  0.0009  -0.0007  0.0017