data_global
_chemical_name_mineral 'Morinite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 17 
_journal_year 1979
_journal_page_first 93
_journal_page_last 102
_publ_section_title
;
 The crystal structure of morinite
;
_database_code_amcsd 0005168
_chemical_formula_sum 'Ca2 Al2 Na P2 O11 F4 H5'
_cell_length_a 9.454
_cell_length_b 10.692
_cell_length_c 5.444
_cell_angle_alpha 90
_cell_angle_beta 105.5
_cell_angle_gamma 90
_cell_volume 530.277
_exptl_crystal_density_diffrn      2.982
_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
Ca   0.14521   0.58288   0.24000 ?
Al   0.25760   0.40620   0.77330 ?
Na   0.68850   0.25000   0.20830 ?
P1   0.04380   0.25000   0.37150 ?
P2   0.50870   0.25000   0.64150 ?
O1   0.96990   0.25000   0.08540 ?
O2   0.22870   0.25000   0.89620 ?
O3   0.67540   0.25000   0.76500 ?
O4   0.47480   0.25000   0.35350 ?
O5   0.92920   0.25000   0.52480 ?
O6   0.35540   0.04190   0.13040 ?
O7   0.44230   0.13400   0.73460 ?
O8   0.14330   0.13200   0.44160 ?
F1   0.09680   0.03280   0.86050 ?
F2   0.71500   0.05870   0.33920 ?
H1   0.16900   0.25000   0.98500   0.01267
H2   0.42600   0.99200   0.16200   0.01267
H3   0.38200   0.11200   0.21800   0.01267
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
Ca 0.00631 0.00811 0.01046 -0.00099 0.00024 -0.00170
Al 0.00463 0.00521 0.00920 0.00049 0.00266 0.00028
Na 0.01976 0.01100 0.01840 0.00000 0.00508 0.00000
P1 0.00463 0.00521 0.00697 0.00000 0.00218 0.00000
P2 0.00378 0.00637 0.00850 0.00000 0.00218 0.00000
O1 0.00883 0.00985 0.00892 0.00000 -0.00024 0.00000
O2 0.00715 0.00637 0.01129 0.00000 0.00533 0.00000
O3 0.00336 0.00869 0.01589 0.00000 0.00169 0.00000
O4 0.01177 0.01100 0.01213 0.00000 0.00363 0.00000
O5 0.00631 0.01158 0.01171 0.00000 0.00557 0.00000
O6 0.00673 0.00927 0.01171 0.00247 0.00194 0.00057
O7 0.00631 0.00811 0.01659 0.00049 0.00533 0.00142
O8 0.00799 0.00637 0.00920 0.00099 0.00169 0.00028
F1 0.00589 0.01100 0.01269 -0.00247 0.00363 0.00085
F2 0.01051 0.00637 0.01352 0.00148 0.00266 -0.00028