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 'Forsterite'
loop_
_publ_author_name
'Baur W H'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 709
_journal_page_last 731
_publ_section_title
;
 Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
 polymorphs of low and high density
;
_database_code_amcsd 276
_chemical_compound_source 'hypothetical'
_chemical_formula_sum 'Si Mg2 O4'
_cell_length_a 4.79
_cell_length_b 10.19
_cell_length_c 5.85
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 285.539
_exptl_crystal_density_diffrn  3.273
_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   0.0945  0.4078  0.25
Mg1   0.0  0.0  0.0
Mg2   0.0056  0.2632  0.75
O1   0.2499  0.0907  0.75
O2   0.2832  0.0578  0.25
O3   0.2312  0.337  0.4707
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]