data_global
_chemical_name_mineral 'Goyazite'
loop_
_publ_author_name
'Kato T'
_journal_name_full 'Mineralogical Journal'
_journal_volume 13 
_journal_year 1987
_journal_page_first 390
_journal_page_last 396
_publ_section_title
;
 Further refinement of the goyazite structure
;
_database_code_amcsd 0014430
_chemical_compound_source 'Palermo mine, North Groton, New Hampshire, USA'
_chemical_formula_sum 'Sr Al3 P2 O14 H7'
_cell_length_a 7.015
_cell_length_b 7.015
_cell_length_c 16.558
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 705.657
_exptl_crystal_density_diffrn      3.258
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Sr   0.00000   0.00000   0.00000   1.00000   0.01267
Al   0.50000   0.50000   0.50000   1.00000   0.00836
P   0.00000   0.00000   0.30750   1.00000   0.00659
O1   0.00000   0.00000   0.40030   1.00000   0.00861
O2   0.21420  -0.21420  -0.05670   1.00000   0.00836
O3   0.12470  -0.12470   0.13710   1.00000   0.00912
H1   0.00000   0.00000   0.46300   0.50000 ?
H2   0.19400   0.80600   0.11000   1.00000 ?
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
Sr 0.01651 0.01651 0.00486 0.00826 0.00000 0.00000
Al 0.00660 0.00879 0.01028 0.00439 0.00372 0.00744
P 0.00561 0.00561 0.00875 0.00280 0.00000 0.00000
O1 0.01040 0.01040 0.00514 0.00520 0.00000 0.00000
O2 0.01156 0.01156 0.00667 0.00926 0.00036 -0.00036
O3 0.00585 0.00585 0.01306 0.00108 0.00280 -0.00280