data_global
_chemical_name_mineral 'Collinsite'
loop_
_publ_author_name
'Herwig S'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 1181
_journal_page_last 1196
_publ_section_title
;
 The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
;
_database_code_amcsd 0006118
_chemical_compound_source 'Rapid Creek, Yukon Territory, Canada'
_chemical_formula_sum 'Ca2 Mg.92 Mn.01 Fe.06 P2 O10 H4'
_cell_length_a 5.729
_cell_length_b 6.778
_cell_length_c 5.444
_cell_angle_alpha 97.31
_cell_angle_beta 108.56
_cell_angle_gamma 107.25
_cell_volume 185.565
_exptl_crystal_density_diffrn      2.974
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-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
CaX   0.30332   0.75897   0.65422   1.00000   0.00910
MgM   0.00000   0.00000   0.00000   0.92000   0.00636
MnM   0.00000   0.00000   0.00000   0.01000   0.00636
FeM   0.00000   0.00000   0.00000   0.06000   0.00636
PT   0.33308   0.24382   0.66329   1.00000   0.00577
O1   0.25585   0.07243   0.40377   1.00000   0.00989
O2   0.33308   0.12722   0.89146   1.00000   0.00899
O3   0.15488   0.37340   0.63328   1.00000   0.00907
O4   0.61936   0.38661   0.72049   1.00000   0.00948
OW   0.94947   0.27786   0.06803   1.00000   0.00884
H1   0.83800   0.31600  -0.07700   1.00000   0.03900
H2   0.11700   0.39200   0.14400   1.00000   0.05000
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
CaX 0.00765 0.01038 0.00879 0.00259 0.00351 0.00116
MgM 0.00580 0.00680 0.00640 0.00258 0.00196 0.00095
MnM 0.00580 0.00680 0.00640 0.00258 0.00196 0.00095
FeM 0.00580 0.00680 0.00640 0.00258 0.00196 0.00095
PT 0.00513 0.00637 0.00578 0.00225 0.00175 0.00174
O1 0.00980 0.01020 0.00780 0.00370 0.00190 -0.00070
O2 0.00880 0.01090 0.00890 0.00400 0.00370 0.00550
O3 0.00910 0.00980 0.01040 0.00580 0.00360 0.00360
O4 0.00640 0.01000 0.01000 0.00070 0.00250 0.00240
OW 0.00840 0.00840 0.00880 0.00250 0.00230 0.00240