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
'Smyth J R'
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 588
_journal_page_last 593
_publ_section_title
;
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 T = 300 C
;
_database_code_amcsd 329
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 4.763
_cell_length_b 10.24
_cell_length_c 5.999
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 292.59
_exptl_crystal_density_diffrn  3.194
_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
_atom_site_U_iso_or_equiv
Mg1   0.0  0.0  0.0  0.0076
Mg2   0.9915  0.278  0.25  0.00722
Si   0.4257  0.0939  0.25  0.00317
O1   0.7657  0.091  0.25  0.00798
O2   0.2177  0.4492  0.25  0.00659
O3   0.2806  0.1619  0.0347  0.00747