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6Â¥2018-03-18 16:07:18
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data_LDH
_audit_creation_method        'Created with Diamond (www.crystalimpact.com)'
_audit_creation_date        13-07-30
_audit_update_record        13-07-30
_journal_year        1969
_journal_volume        1969
_journal_page_first        544
_journal_page_last        551
loop_
_publ_author_name        'Allmann, R'£¬'Jepsen, H P'

_publ_section_title        'Die struktur des hydrotalkits'
_chemical_formula_sum        '(Mg.667 Al.333) O3 H3 C.167'
_chemical_name_mineral        'Hydrotalcite'
_chemical_compound_source        'Vezna, Western Moravia'
_cell_length_a         3.0540
_cell_length_b         3.0540
_cell_length_c        22.8100
_cell_angle_alpha        90.000
_cell_angle_beta        90.000
_cell_angle_gamma        120.000
_symmetry_int_tables_number        166
_symmetry_space_group_name_H-M        'R -3 m'
_symmetry_space_group_name_Hall        '-R_3_2'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Mg        ?        1.200
Al        ?        1.200
O        ?        1.200
H        ?        1.200
C        ?        1.200
W        ?        1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Mg Mg  0.0000  0.0000  0.0000  0.667 3 a ? d Uani ?
Al Al  0.0000  0.0000  0.0000  0.333 3 a ? d Uani ?
O1 O  0.0000  0.0000  0.3771  1.000 6 c ? d Uani ?
H1 H  0.0000  0.0000  0.4144  1.000 6 c ? d Uani ?
C C  0.0000  0.0000  0.1670  0.083 6 c ? d Uani ?
O2 O  0.0920 -0.0920  0.5000  0.083 18 h ? d Uani ?
Wat W  0.0920 -0.0920  0.5000  0.083 18 h ? d Uani ?


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
Mg  0.01862  0.01862  0.02214  0.00931  0.00000  0.00000
Al  0.01862  0.01862  0.02214  0.00931  0.00000  0.00000
O1  0.03040  0.03040  0.02372  0.01520  0.00000  0.00000
H1  0.03825  0.03825  0.02609  0.01912  0.00000  0.00000
C  0.07650  0.07650  0.02609  0.03825  0.00000  0.00000
O2  0.13931  0.13931  0.02557  0.08612  0.00000  0.00000
Wat  0.13931  0.13931  0.02557  0.08612  0.00000  0.00000

loop_
_geom_bond_atom_site_symbol_1
_geom_bond_atom_site_symbol_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag

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