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 'Wurtzite-10H'
loop_
_publ_author_name
'Evans H T'
'McKnight E T'
_journal_name_full 'American Mineralogist'
_journal_volume 44
_journal_year 1959
_journal_page_first 1210
_journal_page_last 1218
_publ_section_title
;
 New wurtzite polytypes from Joplin, Missouri
;
_database_code_amcsd 88
_chemical_formula_sum 'Zn5 S5'
_cell_length_a 3.824
_cell_length_b 3.824
_cell_length_c 31.2
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 395.113
_exptl_crystal_density_diffrn  4.096
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1   0.0  0.0  0.0
Zn2   0.0  0.0  0.3
Zn3   0.333333  0.666667  0.1
Zn4   0.333333  0.666667  0.4
Zn5   0.333333  0.666667  0.7
S1   0.0  0.0  0.075
S2   0.0  0.0  0.375
S3   0.333333  0.666667  0.175
S4   0.333333  0.666667  0.475
S5   0.333333  0.666667  0.775