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 'Eveite'
loop_
_publ_author_name
'Moore P B'
'Smyth J R'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 1841
_journal_page_last 1845
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenates: III. The crystal structure
 of eveite, Mn2(OH)(AsO4)
;
_database_code_amcsd 183
_chemical_formula_sum 'Mn2 As (O5 H)'
_cell_length_a 8.57
_cell_length_b 8.77
_cell_length_c 6.27
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 471.246
_exptl_crystal_density_diffrn  3.746
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,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,1/2+z'
  '1/2+x,1/2-y,1/2-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
_atom_site_U_iso_or_equiv
Mn1   0.0  0.0  0.2464  0.01241
Mn2   0.3571  0.1348  0.5  0.01532
As   0.2417  0.2568  0.0  0.00418
O-H1   0.3859  0.3722  0.5  0.00583
O2   0.4158  0.3574  0.0  0.00836
O3   0.1079  0.3927  0.0  0.0209
O4   0.2204  0.1464  0.2205  0.01153