data_global
_chemical_name_mineral 'Nacrite'
loop_
_publ_author_name
'Zheng H'
'Bailey S W'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 42 
_journal_year 1994
_journal_page_first 46
_journal_page_last 52
_publ_section_title
;
 Refinement of the nacrite structure
;
_database_code_amcsd 0012238
_chemical_compound_source 'Red Mountain near Silverton, Colorado, USA'
_chemical_formula_sum 'Al2 Si2 O9 H4'
_cell_length_a 8.906
_cell_length_b 5.146
_cell_length_c 15.664
_cell_angle_alpha 90
_cell_angle_beta 113.58
_cell_angle_gamma 90
_cell_volume 657.944
_exptl_crystal_density_diffrn      2.606
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1   0.15520   0.31980   0.21770
Al2   0.49010   0.32450   0.21730
Sil   0.20120   0.47000   0.02770
Si2   0.37150   0.98310   0.02700
O1   0.24110   0.74990  -0.00410
O2   0.27230   0.24700  -0.01880
O3   0.00290   0.44170  -0.01930
O4   0.26960   0.43850   0.13850
O5   0.46180   0.01100   0.13810
O-h1   0.07950   0.01180   0.14320
O-h2   0.55800   0.63420   0.28380
O-h3   0.17800   0.62960   0.28250
O-h4   0.36930   0.20660   0.28260
H1   0.63460   0.45100   0.12770
H2   0.54750   0.67360   0.32790
H3   0.24320   0.60960   0.32960
H4   0.43170   0.13860   0.32280
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
Al1 0.01148 0.01207 0.01775 0.00000 0.00712 -0.00075
Al2 0.01114 0.01100 0.02193 -0.00064 0.00950 -0.00075
Sil 0.01148 0.00698 0.02193 -0.00021 0.00950 0.00000
Si2 0.01215 0.00872 0.01775 -0.00043 0.00772 -0.00037
O1 0.01586 0.01301 0.02401 0.00596 0.00831 0.00187
O2 0.01789 0.01073 0.02401 -0.00277 0.01128 0.00000
O3 0.01148 0.01664 0.01984 -0.00085 0.00712 0.00112
O4 0.00709 0.00631 0.02506 -0.00085 0.00831 -0.00037
O5 0.01350 0.01543 0.02088 -0.00553 0.00831 0.00150
O-h1 0.01789 0.01274 0.02401 0.00511 0.01247 0.00225
O-h2 0.01823 0.01583 0.02088 -0.00340 0.01069 0.00000
O-h3 0.01451 0.01328 0.01984 0.00149 0.00712 0.00000
O-h4 0.01654 0.02066 0.01671 -0.00213 0.00772 -0.00374