data_global
_chemical_name_mineral 'Markascherite'
loop_
_publ_author_name
'Yang H'
'Jenkins R A'
'Thompson R M'
'Downs R T'
'Evans S H'
'Bloch E M'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 197
_journal_page_last 202
_publ_section_title
;
 Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite,
 from Copper Creek, Pinal County, Arizona, U.S.A.
;
_database_code_amcsd 0018649
_chemical_compound_source 'Copper Creek, Pinal County, Arizona, USA'
_chemical_formula_sum 'Cu3 Mo O8 H8'
_cell_length_a 9.9904
_cell_length_b 5.9934
_cell_length_c 5.5255
_cell_angle_alpha 90
_cell_angle_beta 97.428
_cell_angle_gamma 90
_cell_volume 328.071
_exptl_crystal_density_diffrn      4.278
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1  -0.00037   0.25000  -0.00385   0.01030
Cu2   0.00000   0.50000   0.50000   0.00980
Cu3   0.50000   0.50000   0.00000   0.01300
Mo   0.32101   0.25000   0.42366   0.00980
O1   0.14320   0.25000   0.35330   0.01380
O2   0.39400   0.25000   0.13650   0.01530
O3   0.36360   0.01370   0.59750   0.02100
O-H4   0.10160   0.75000   0.40400   0.01260
O-H5   0.39220   0.75000   0.08550   0.01590
O-H6   0.09130   0.50290   0.85140   0.01150
H1   0.17300   0.75000   0.44000   0.03000
H2   0.36700   0.75000   0.25000   0.03000
H3   0.16500   0.51600   0.83700   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
Cu1 0.01610 0.00650 0.00900 0.00000 0.00400 0.00000
Cu2 0.01390 0.00740 0.00860 -0.00010 0.00390 0.00090
Cu3 0.01250 0.01140 0.01630 -0.00040 0.00710 0.00020
Mo 0.00920 0.01070 0.00990 0.00000 0.00220 0.00000
O1 0.01100 0.01500 0.01500 0.00000 0.00100 0.00000
O2 0.01400 0.01600 0.01700 0.00000 0.00800 0.00000
O3 0.02100 0.02000 0.02200 0.00400 0.00000 0.00730
O-H4 0.01400 0.00900 0.01500 0.00000 0.00100 0.00000
O-H5 0.01400 0.01800 0.01700 0.00000 0.00700 0.00000
O-H6 0.01100 0.01100 0.01300 -0.00020 0.00300 0.00110