data_global
_chemical_name_mineral 'Cobaltaustinite'
loop_
_publ_author_name
'Yang H'
'Costin G'
'Keogh J'
'Lu R'
'Downs R T'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 63 
_journal_year 2007
_journal_page_first i53
_journal_page_last i55
_publ_section_title
;
 Cobaltaustinite, CaCo(AsO4)(OH)
;
_database_code_amcsd 0010473
_chemical_compound_source 'Dome Rock, Mingary, South Australia, Australia'
_chemical_formula_sum 'Ca (Co.95 Cu.05) As O5 H'
_cell_length_a 7.4919
_cell_length_b 8.9946
_cell_length_c 5.9158
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 398.646
_exptl_crystal_density_diffrn      4.252
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Ca   0.62941   0.32886   0.52230   1.00000   0.01660
Co   0.25814   0.50516   0.25470   0.95000   0.01450
Cu   0.25814   0.50516   0.25470   0.05000   0.01450
As   0.62045   0.67900   0.48441   1.00000   0.01430
O1   0.44330   0.56130   0.50880   1.00000   0.02100
O2   0.71250   0.43640   0.91210   1.00000   0.02470
O3   0.35210   0.26950   0.76730   1.00000   0.01810
O4   0.39750   0.29450   0.24030   1.00000   0.02230
O5   0.39560   0.57400   0.99440   1.00000   0.02180
H   0.50400   0.50600   0.99000   1.00000   0.06000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.01510 0.01500 0.01970 0.00100 -0.00070 -0.00090
Co 0.01310 0.01570 0.01490 -0.00050 0.00090 0.00130
Cu 0.01310 0.01570 0.01490 -0.00050 0.00090 0.00130
As 0.01190 0.01390 0.01720 -0.00030 0.00010 -0.00010
O1 0.01900 0.02200 0.02200 -0.00430 -0.00100 -0.00800
O2 0.02100 0.02700 0.02700 0.00600 -0.00400 -0.00200
O3 0.01800 0.01800 0.01800 0.00000 -0.00100 0.00210
O4 0.02600 0.01800 0.02200 -0.00100 -0.00900 0.00100
O5 0.01700 0.02600 0.02300 0.00060 -0.00400 0.00100