data_9008396
_chemical_name 'Anthophyllite'
loop_
_publ_author_name
'Walitzi E M'
'Walter F'
'Ettinger K'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 188
_journal_year 1989
_journal_page_first 237
_journal_page_last 244
_publ_section_title
;
 Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, O
;
_chemical_formula_sum 'Na.01 Ca.02 Mg5.71 Fe1.24 Mn.02 (Si7.95 Al.05) O24 H2'
_cell_length_a 18.544
_cell_length_b 18.026
_cell_length_c 5.282
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1765.636
_symmetry_space_group_name_H-M 'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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_Uiso_or_equiv
Na4   0.12390  -0.00940   0.38970   0.00500   0.01013
Ca4   0.12390  -0.00940   0.38970   0.01000   0.01013
Mg4   0.12390  -0.00940   0.38970   0.38000   0.01013
Fe4   0.12390  -0.00940   0.38970   0.59500   0.01013
Mn4   0.12390  -0.00940   0.38970   0.01000   0.01013
Fel   0.12510   0.16340   0.39300   0.02000   0.00709
Mgl   0.12510   0.16340   0.39300   0.98000   0.00709
Mg2   0.12500   0.07310  -0.10840   1.00000   0.00697
Fe3   0.12550   0.25000  -0.10700   0.01000   0.00659
Mg3   0.12550   0.25000  -0.10700   0.99000   0.00659
Si1A   0.23050  -0.16550  -0.43300   0.99375   0.00570
Al1A   0.23050  -0.16550  -0.43300   0.00625   0.00570
Si1B   0.01860  -0.16640   0.27430   0.99375   0.00608
Al1B   0.01860  -0.16640   0.27430   0.00625   0.00608
Si2A   0.22710  -0.07980   0.06370   0.99375   0.00646
Al2A   0.22710  -0.07980   0.06370   0.00625   0.00646
Si2B   0.02450  -0.08170  -0.22460   0.99375   0.00671
Al2B   0.02450  -0.08170  -0.22460   0.00625   0.00671
O1A   0.18250   0.16350   0.05990   1.00000   0.00811
O1B   0.06820   0.16360  -0.27250   1.00000   0.00861
O2A   0.18570   0.07730  -0.43700   1.00000   0.00798
O2B   0.06310   0.07720   0.22090   1.00000   0.00899
O-H3A   0.18310   0.25000  -0.44270   1.00000   0.00963
O-H3B   0.06970   0.25000   0.22700   1.00000   0.00823
O4A   0.18680  -0.00120   0.07430   1.00000   0.01077
O4B   0.06680  -0.00680  -0.29080   1.00000   0.00975
O5A   0.19730  -0.11780   0.33210   1.00000   0.01039
O5B   0.05040  -0.11180   0.05650   1.00000   0.00747
O6A   0.20030  -0.13100  -0.17120   1.00000   0.00988
O6B   0.04860  -0.14040  -0.44960   1.00000   0.01115
O7A   0.20250   0.75000   0.54050   1.00000   0.01013
O7B   0.04640   0.75000   0.22200   1.00000   0.01115