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 'Flinkite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 52
_journal_year 1967
_journal_page_first 1603
_journal_page_last 1613
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
 structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
;
_database_code_amcsd 160
_chemical_formula_sum 'Mn3 As (O8 H4)'
_cell_length_a 9.55
_cell_length_b 13.11
_cell_length_c 5.25
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 657.303
_exptl_crystal_density_diffrn  3.757
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Mn1   0.0  0.0  0.0  0.01596
Mn2   0.0205  0.1319  0.4875  0.01786
As   0.1542  0.75  0.0257  0.00595
O-H1   0.1398  0.0756  0.1617  0.01659
O2   -0.0916  0.1474  0.8361  0.01216
O-H3   -0.0994  0.0059  0.2974  0.01343
O4   0.0988  0.75  0.7067  0.01267
O5   0.1705  0.25  0.5438  0.01241