data_9004190
_chemical_name 'Nickelaustinite'
loop_
_publ_author_name
'Cesbron F P'
'Ginderow D'
'Giraud R'
'Pelisson P'
'Pillard F'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 25
_journal_year 1987
_journal_page_first 401
_journal_page_last 407
_publ_section_title
;
 La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du
 district cobalto-nickelifere de Bou-Azzer, Maroc
 Note: signs changed on y-coordinates of O1 and O2
;
_chemical_formula_sum 'Ca (Ni.67 Zn.22 Co.04 Mg.06 Cu.01) As O5 H'
_cell_length_a 7.455
_cell_length_b 8.955
_cell_length_c 5.916
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 394.949
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-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
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ca   0.36870   0.17040   0.47610   1.00000   0.01013
Ni   0.24050   0.50490   0.25580   0.67000   0.01013
Zn   0.24050   0.50490   0.25580   0.22000   0.01013
Co   0.24050   0.50490   0.25580   0.04000   0.01013
Mg   0.24050   0.50490   0.25580   0.06000   0.01013
Cu   0.24050   0.50490   0.25580   0.01000   0.01013
As   0.11820   0.18120   0.01650   1.00000   0.00760
O1  -0.05490   0.06270  -0.01060   1.00000   0.01393
O2   0.28390   0.06680   0.08420   1.00000   0.01393
O3   0.14630   0.27490  -0.23220   1.00000   0.01013
O4   0.10240   0.29600   0.24300   1.00000   0.01140
O5   0.39780   0.42550   0.49670   1.00000   0.00887
H   0.47500   0.97100   0.01000   1.00000   0.00887