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 'Retzian'
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 161
_chemical_formula_sum 'Y As Mn2 O8 H4'
_cell_length_a 5.67
_cell_length_b 12.03
_cell_length_c 4.863
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 331.706
_exptl_crystal_density_diffrn  4.062
_symmetry_space_group_name_H-M 'P b a n '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  '-x,1/2+y,z'
  'x,1/2-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_U_iso_or_equiv
Y   0.25  0.25  0.0  0.00076
As   0.75  0.25  0.5  0.00557
Mn   0.25  0.5548  0.0  0.01026
O   0.5769  0.3198  0.3045  0.01381
O-H   0.5783  0.577  0.201  0.01368