data_9007672
_chemical_name 'Westerveldite'
loop_
_publ_author_name
'Lyman P S'
'Prewitt C T'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 40
_journal_year 1984
_journal_page_first 14
_journal_page_last 20
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Locality: synthetic
 Note: anisoB's taken from ICSD
 Sample: P = 8.3 GPa
;
_chemical_formula_sum 'Fe As'
_cell_length_a 5.390
_cell_length_b 5.928
_cell_length_c 3.2662
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 104.361
_symmetry_space_group_name_H-M 'P n a m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-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,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
Fe   0.00290   0.19800   0.25000
As   0.19690   0.57460   0.25000