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 'Tenorite'
loop_
_publ_author_name
'Tunell G'
'Posnjak E'
'Ksanda C'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 90
_journal_year 1935
_journal_page_first 120
_journal_page_last 142
_publ_section_title
;
 Geometrical and optical properties, and crystal structure of tenorite
 _cod_database_code 1011148
;
_database_code_amcsd 18033
_chemical_formula_sum 'Cu O'
_cell_length_a 4.653
_cell_length_b 3.41
_cell_length_c 5.108
_cell_angle_alpha 90.0
_cell_angle_beta 99.48
_cell_angle_gamma 90.0
_cell_volume 79.94
_exptl_crystal_density_diffrn  6.609
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.25  0.25  0.0
O1   0.0  0.916  0.75