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
_amcsd_formula_title 'Mg2SiO4'
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
 Sr2PbO4 structure
;
_database_code_amcsd 283
_chemical_compound_source 'hypothetical'
_chemical_formula_sum 'Si Mg2 O4'
_cell_length_a 4.98
_cell_length_b 8.85
_cell_length_c 2.75
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 121.201
_exptl_crystal_density_diffrn  3.855
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.0  0.0  0.0
Mg   0.0819  0.3329  0.5
O1   0.2164  0.0448  0.5
O2   0.3925  0.3087  0.0