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 'Natrophilite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 1333
_journal_page_last 1344
_publ_section_title
;
 Natrophilite, NaMn(PO4), has ordered cations
;
_database_code_amcsd 292
_chemical_formula_sum 'Na (Mn.93 Fe.07) P O4'
_cell_length_a 10.523
_cell_length_b 4.987
_cell_length_c 6.312
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 331.242
_exptl_crystal_density_diffrn  3.468
_symmetry_space_group_name_H-M 'P n a 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_occupancy
_atom_site_U_iso_or_equiv
Na1   0.0  0.0  0.0  1.0  0.01494
Mn2   0.28469  -0.0065  0.25  0.93  0.00697
Fe2   0.28469  -0.0065  0.25  0.07  0.00697
P   0.1068  0.44  0.25  1.0  0.00595
O1   0.1131  0.7471  0.25  1.0  0.00937
O2   0.4687  0.1605  0.25  1.0  0.00937
O3   0.1755  0.3114  0.0568  1.0  0.00937