data_9007613
_chemical_name 'Brassite'
loop_
_publ_author_name
'Protas J'
'Gindt R'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 32
_journal_year 1976
_journal_page_first 1460
_journal_page_last 1466
_publ_section_title
;
 Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation
 de la roesslerite
 Locality: synthetic
;
_chemical_formula_sum 'Mg As O8 H9'
_cell_length_a 7.472
_cell_length_b 10.891
_cell_length_c 16.5850
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1349.647
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg   0.29410   0.47150   0.34680
As  -0.00090   0.20670   0.09900
O1   0.41210   0.30300  -0.00650
O-H2   0.22190   0.16230   0.08770
O3   0.00170   0.34850   0.13710
O4   0.41210   0.10170   0.33890
Wat1   0.51500   0.10580   0.18690
Wat2   0.27760   0.42760   0.22560
Wat3   0.09540   0.34240   0.36970
Wat4   0.17500   0.01930   0.46690