data_global
_chemical_name_mineral 'Cabalzarite'
loop_
_publ_author_name
'Brugger J'
'Meisser N'
'Schenk K'
'Berlepsch P'
'Bonin M'
'Armbruster T'
'Nyfeler D'
'Schmidt S'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 1307
_journal_page_last 1314
_publ_section_title
;
 Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2,
 a new mineral of the tsumcorite group
 Sample: CABA20, Bern
;
_database_code_amcsd 0002515
_chemical_compound_source 'Falotta, Graubunden, Switzerland'
_chemical_formula_sum 'Ca (Mg.82 Al.84 Fe.08 Mn.26) As2 O10 H3'
_cell_length_a 8.9284
_cell_length_b 6.1314
_cell_length_c 7.3439
_cell_angle_alpha 90
_cell_angle_beta 115.494
_cell_angle_gamma 90
_cell_volume 362.886
_exptl_crystal_density_diffrn      3.791
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CaM1   0.00000   0.00000   0.00000   1.00000   0.01540
MgM2   0.25000   0.25000   0.50000   0.41000   0.01000
AlM2   0.25000   0.25000   0.50000   0.42000   0.01000
FeM2   0.25000   0.25000   0.50000   0.04000   0.01000
MnM2   0.25000   0.25000   0.50000   0.13000   0.01000
As   0.91648   0.50000   0.20931   1.00000   0.00920
O1   0.33960   0.50000   0.41030   1.00000   0.01660
O2   0.31690   0.00000   0.36360   1.00000   0.01740
O3   0.03760   0.27640   0.25280   1.00000   0.00150
O4   0.23850   0.50000   0.01860   1.00000   0.02130
H11   0.45000   0.50000   0.43000   0.50000   0.07000
H14   0.29400   0.50000   0.27000   1.00000   0.03000
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
CaM1 0.01830 0.01430 0.01600 0.00000 0.00960 0.00000
MgM2 0.01000 0.01060 0.01160 0.00040 0.00390 0.00000
AlM2 0.01000 0.01060 0.01160 0.00040 0.00390 0.00000
FeM2 0.01000 0.01060 0.01160 0.00040 0.00390 0.00000
MnM2 0.01000 0.01060 0.01160 0.00040 0.00390 0.00000
As 0.00810 0.01090 0.00860 0.00000 0.00380 0.00000
O1 0.01100 0.02500 0.01300 0.00000 0.00510 0.00000
O2 0.01700 0.02200 0.01700 0.00000 0.01100 0.00000
O3 0.01500 0.01300 0.01700 0.00100 0.00680 -0.00040
O4 0.01800 0.02900 0.01300 0.00000 0.00200 0.00000