XRD 12 ID = 10031<br><br />
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data_
_chemical_name_mineral ?AlPO-91?
_cell_length_a 12.8814(6)
_cell_length_b 12.8814(6)
_cell_length_c 40.9810(19)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 5889.0(6)
_symmetry_space_group_name_H-M P-31c
loop_
	_symmetry_equiv_pos_as_xyz
	 'x, y, z '
	 '-x, -y, -z '
	 '-x+y, -x, z '
	 '-x+y, y, -z+1/2 '
	 '-y, -x, -z+1/2 '
	 '-y, x-y, z '
	 'y, -x+y, -z '
	 'y, x, z+1/2 '
	 'x-y, -y, z+1/2 '
	 'x-y, x, -z '
	 '-x, -x+y, z+1/2 '
	 'x, x-y, -z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Al1 Al  12 -0.243(3) -0.241(3) 0.0362(8) 1 4.6(2)
Al2 Al  12 0.422(2) 0.327(2) 0.5960(10) 1 4.6(2)
Al3 Al  12 -0.249(3) -0.249(3) 0.6544(9) 1 4.6(2)
Al4 Al  12 0.328(3) 0.418(3) 0.7135(8) 1 4.6(2)
O1 O  12 0.112(4) 0.2052(14) 0.0405(4) 1 3.90(9)
O2 O  12 0.284(3) 0.283(3) 0.0031(17) 1 3.90(9)
O3 O  12 0.2567(16) 0.134(5) 0.0443(5) 1 3.90(9)
O4 O  12 0.317(4) 0.341(4) 0.0618(16) 1 3.90(9)
O5 O  12 -0.333(4) -0.361(4) 0.5619(15) 1 3.90(9)
O6 O  12 0.464(4) 0.542(5) 0.0972(7) 1 3.90(9)
O7 O  12 0.219(4) 0.4599(12) 0.0963(7) 1 3.90(9)
O8 O  12 0.315(4) 0.340(3) 0.1300(9) 1 3.90(9)
O9 O  12 -0.324(4) -0.341(3) 0.6221(11) 1 3.90(9)
O10 O  12 0.118(5) 0.2256(17) 0.1557(6) 1 3.90(9)
O11 O  12 0.250(2) 0.133(5) 0.1504(5) 1 3.90(9)
O12 O  12 0.296(4) 0.296(3) 0.1895(14) 1 3.90(9)
O13 O  12 -0.318(4) -0.322(3) 0.6893(17) 1 3.90(9)
O14 O  12 0.540(6) 0.463(6) 0.2019(5) 1 3.90(9)
O15 O  12 0.4486(15) 0.211(4) 0.2091(5) 1 3.90(9)
O16 O  12 0.377(2) 0.3454(16) 0.2529(19) 1 3.90(9)
P1 P  12 0.239(2) 0.242(2) 0.5373(7) 1 2.97(16)
P2 P  12 -0.426(2) -0.3382(17) 0.0939(7) 1 2.97(16)
P3 P  12 0.243(2) 0.246(2) 0.1565(7) 1 2.97(16)
P4 P  12 -0.3427(18) -0.422(2) 0.2119(7) 1 2.97(16)