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 'Sohngeite'
loop_
_publ_author_name
'Scott J D'
_journal_name_full 'American Mineralogist'
_journal_volume 56
_journal_year 1971
_journal_page_first 355
_journal_page_last 355
_publ_section_title
;
 Crystal structure of a new mineral, sohngeite
;
_database_code_amcsd 223
_chemical_formula_sum 'Ga (O3 H3)'
_cell_length_a 7.4865
_cell_length_b 7.4379
_cell_length_c 7.4963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 417.423
_exptl_crystal_density_diffrn  3.843
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ga1   0.25  0.25  0.25
Ga2   0.25  0.25  0.75
O-H1   0.25  0.25  0.0
O-H2   0.25  0.25  0.5
O-H3   0.0  0.25  0.3
O-H4   0.25  0.0  0.3
O-H5   0.25  0.5  0.3
O-H6   0.5  0.25  0.3
O-H7   0.0  0.75  0.3
O-H8   0.5  0.75  0.3