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 'Sarcopside'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 24
_journal_page_last 35
_publ_section_title
;
 Sarcopside: Its atomic arrangement
;
_database_code_amcsd 268
_chemical_compound_source 'Bull Moose pegmatite, near Custer, South Dakota, USA'
_chemical_formula_sum '(Fe2.34 Mn.63 Mg.03) P2 O8'
_cell_length_a 10.437
_cell_length_b 4.768
_cell_length_c 6.026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 299.876
_exptl_crystal_density_diffrn  3.942
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Fe1   0.0  0.0  0.0  0.78  0.00735
Mn1   0.0  0.0  0.0  0.21  0.00735
Mg1   0.0  0.0  0.0  0.01  0.00735
Fe2   0.283  -0.0134  0.2639  0.78  0.00722
Mn2   0.283  -0.0134  0.2639  0.21  0.00722
Mg2   0.283  -0.0134  0.2639  0.01  0.00722
P   0.1  0.4341  0.2386  1.0  0.00671
O1   -0.1042  0.251  -0.2159  1.0  0.00899
O2   -0.0358  0.3147  0.2463  1.0  0.00963
O3   0.162  0.2838  0.0291  1.0  0.00988
O4   0.1822  0.3241  0.4296  1.0  0.00874