data_global
_chemical_name_mineral 'Churchite-(Y)'
loop_
_publ_author_name
'Kohlmann M'
'Sowa H'
'Reithmayer K'
'Schulz H'
'Kruger R R'
'Abriel W'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 50 
_journal_year 1994
_journal_page_first 1651
_journal_page_last 1652
_publ_section_title
;
 Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation
 Note: anisoU's taken from ICSD
 Note: isostructural with gypsum
;
_database_code_amcsd 0010295
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Y.947 Dy.028 Er.018 Gd.007) P O6 H4'
_cell_length_a 5.578
_cell_length_b 15.006
_cell_length_c 6.275
_cell_angle_alpha 90
_cell_angle_beta 117.83
_cell_angle_gamma 90
_cell_volume 464.488
_exptl_crystal_density_diffrn      3.201
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Y   0.25000   0.82890   0.00000   0.94700   0.00590
Dy   0.25000   0.82890   0.00000   0.02800   0.00590
Er   0.25000   0.82890   0.00000   0.01800   0.00590
Gd   0.25000   0.82890   0.00000   0.00700   0.00590
P   0.25000   0.33070   0.00000   1.00000   0.01300
O1   0.30200   0.38570   0.22400   1.00000   0.02000
O2   0.50600   0.27140   0.08400   1.00000   0.01500
Wat3   0.63000   0.06800   0.21800   1.00000   0.02200
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
Y 0.00380 0.00780 0.00610 0.00000 0.00000 0.00000
Dy 0.00380 0.00780 0.00610 0.00000 0.00000 0.00000
Er 0.00380 0.00780 0.00610 0.00000 0.00000 0.00000
Gd 0.00380 0.00780 0.00610 0.00000 0.00000 0.00000
P 0.00900 0.01300 0.01700 0.00000 0.00400 0.00000
O1 0.01800 0.02600 0.01700 -0.00600 0.00400 0.00300
O2 0.00800 0.02200 0.01500 -0.00200 -0.00100 0.00200
Wat3 0.02200 0.01800 0.02500 0.00300 0.01200 -0.00400