data_global
_chemical_name_mineral 'Anorthite'
loop_
_publ_author_name
'Wadoski-Romeijn E'
'Armbruster T'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 1988
_journal_page_last 1997
_publ_section_title
;
 Topotactic transformation and dehydration of the zeolite gismondine
 to a novel Ca feldspar structure
 Note: T = 350 C, Path 2, synthesised from gismondine
;
_database_code_amcsd 0020104
_chemical_compound_source 'Rio Pian del Foco, Genova province, Italy'
_chemical_formula_sum 'Al Si Ca.5 O4'
_cell_length_a 8.152
_cell_length_b 12.917
_cell_length_c 7.126
_cell_angle_alpha 93.26
_cell_angle_beta 116.37
_cell_angle_gamma 88.72
_cell_volume 671.192
_exptl_crystal_density_diffrn      2.753
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
AlT1O  -0.50990   0.16730  -0.21130   1.00000   0.01850
SiT1M   0.00400   0.32010  -0.23430   1.00000   0.01660
AlT2O  -0.18720   0.11370  -0.31460   1.00000   0.01740
SiT2M  -0.17900  -0.11720  -0.36030   1.00000   0.01570
Ca1   0.23560  -0.01970  -0.15920   0.72900   0.04290
Ca2   0.22300   0.02080  -0.09600   0.27100   0.04290
OA1  -0.52060   0.12960   0.02450   1.00000   0.03300
OA2  -0.07910  -0.00740  -0.28300   1.00000   0.02600
OBO  -0.31010   0.11100  -0.17390   1.00000   0.03200
OBM   0.18250   0.35670  -0.26000   1.00000   0.03700
OCO  -0.02150  -0.20390  -0.27800   1.00000   0.03000
OCM  -0.00300   0.19350  -0.21240   1.00000   0.03300
ODO  -0.70770   0.10750  -0.38630   1.00000   0.02800
ODM  -0.31980   0.12890  -0.58260   1.00000   0.03600
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
AlT1O 0.02280 0.01900 0.01270 0.00040 0.00820 -0.01080
SiT1M 0.01990 0.01800 0.01180 -0.00490 0.00740 -0.00940
AlT2O 0.01980 0.01300 0.01700 -0.00200 0.00740 -0.01120
SiT2M 0.01740 0.01300 0.01500 -0.00180 0.00640 -0.00870
Ca1 0.02420 0.07000 0.03800 0.00400 0.01700 0.00900
Ca2 0.02420 0.07000 0.03800 0.00400 0.01700 0.00900
OA1 0.03800 0.04200 0.01100 0.00800 0.00600 -0.01300
OA2 0.02200 0.02400 0.02500 -0.00500 0.00600 -0.01500
OBO 0.02600 0.03800 0.03400 0.01300 0.01900 -0.01000
OBM 0.03700 0.03600 0.04800 -0.02000 0.03000 -0.02400
OCO 0.03200 0.01600 0.04300 0.00700 0.01900 -0.00600
ODO 0.02900 0.02700 0.02300 -0.00700 0.01000 -0.01500
ODM 0.04000 0.03500 0.01600 0.00500 -0.00100 -0.00900