data_global
_chemical_name_mineral 'Anorthite'
loop_
_publ_author_name
'Wainwright J'
'Starkey J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 133 
_journal_year 1971
_journal_page_first 75
_journal_page_last 84
_publ_section_title
;
 A refinement of the structure of anorthite
 _cod_database_code 1000034
;
_database_code_amcsd 0010723
_chemical_formula_sum 'Ca Si2 Al2 O8'
_cell_length_a 8.173
_cell_length_b 12.869
_cell_length_c 14.165
_cell_angle_alpha 93.113
_cell_angle_beta 115.913
_cell_angle_gamma 91.261
_cell_volume 1336.346
_exptl_crystal_density_diffrn      2.766
_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
Ca1   0.26510   0.98640   0.08670
Ca2   0.26920   0.03120   0.54350
Ca3   0.77370   0.53590   0.54120
Ca4   0.76340   0.50520   0.07470
Si1   0.00920   0.15920   0.10440
Al1   0.00660   0.16100   0.61120
Si2   0.50620   0.65600   0.60420
Al2   0.49840   0.66580   0.11280
Al3   0.99120   0.81520   0.11760
Si3   0.00610   0.81540   0.61350
Al4   0.50730   0.31450   0.62120
Si4   0.50410   0.32040   0.10990
Al5   0.68450   0.11300   0.15190
Si5   0.68140   0.10340   0.66460
Al6   0.19070   0.61100   0.66740
Si6   0.17130   0.60670   0.14950
Si7   0.67420   0.88290   0.18760
Al7   0.68090   0.87190   0.67250
Si8   0.17620   0.37890   0.67340
Al8   0.18520   0.37750   0.18160
O1   0.02690   0.12420   0.99600
O2   0.98120   0.12570   0.48350
O3   0.48750   0.62410   0.48680
O4   0.51690   0.62470   0.99660
O5   0.57440   0.99130   0.14340
O6   0.57200   0.98970   0.63790
O7   0.07310   0.48750   0.63540
O8   0.07340   0.49320   0.13860
O9   0.81540   0.10180   0.08060
O10   0.81240   0.09680   0.60570
O11   0.33250   0.59570   0.60470
O12   0.28540   0.60340   0.07980
O13   0.81750   0.85540   0.14430
O14   0.81130   0.85180   0.60340
O15   0.29870   0.35590   0.61150
O16   0.34190   0.35870   0.13330
O17   0.01410   0.27960   0.13510
O18   0.02050   0.29090   0.64740
O19   0.50940   0.77690   0.63440
O20   0.50920   0.79650   0.15100
O21   0.00080   0.68060   0.10440
O22   0.00890   0.68990   0.60130
O23   0.51650   0.17880   0.61010
O24   0.50710   0.19630   0.09750
O25   0.18260   0.10590   0.19170
O26   0.21550   0.10250   0.68470
O27   0.69890   0.60790   0.67900
O28   0.69080   0.60430   0.20190
O29   0.20380   0.87400   0.21070
O30   0.17090   0.85640   0.71970
O31   0.68840   0.36280   0.73320
O32   0.70060   0.36970   0.19700